3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide

C149H149Cl6N35O26 — CID 157460114

About 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide

3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide (PubChem CID 157460114) has the molecular formula C149H149Cl6N35O26 and a molecular weight of 3058.77 g/mol. Its IUPAC name is 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide
• PubChem CID: 157460114
• Molecular Formula: C149H149Cl6N35O26
• Molecular Weight: 3058.77 g/mol
• Exact Mass: 3053.95
• IUPAC Name: 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide
• SMILES: COCCNC(=O)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@@H](CO)OC4)c23)c(Cl)c1.O=C(NCCN1CCOCC1)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@@H](CO)OC4)c23)c(Cl)c1.O=C(Nc1ccccn1)c1ccc(C(=O)c2c[nH]c3ncnc(NC4CCC(CO)OC4)c23)c(Cl)c1.O=C(Nc1ccccn1)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@H](CO)OC4)c23)c(Cl)c1.O=C(Nc1ccccn1)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@H]4CC[C@@H](CO)OC4)c23)c(Cl)c1.O=C(Nc1ccccn1)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@H]4CC[C@H](CO)OC4)c23)c(Cl)c1
• InChI: InChI=1S/C26H31ClN6O5.4C25H23ClN6O4.C23H26ClN5O5/c27-21-11-16(26(36)28-5-6-33-7-9-37-10-8-33)1-4-19(21)23(35)20-12-29-24-22(20)25(31-15-30-24)32-17-2-3-18(13-34)38-14-17;4*26-19-9-14(25(35)32-20-3-1-2-8-27-20)4-7-17(19)22(34)18-10-28-23-21(18)24(30-13-29-23)31-15-5-6-16(11-33)36-12-15;1-33-7-6-25-23(32)13-2-5-16(18(24)8-13)20(31)17-9-26-21-19(17)22(28-12-27-21)29-14-3-4-15(10-30)34-11-14/h1,4,11-12,15,17-18,34H,2-3,5-10,13-14H2,(H,28,36)(H2,29,30,31,32);4*1-4,7-10,13,15-16,33H,5-6,11-12H2,(H,27,32,35)(H2,28,29,30,31);2,5,8-9,12,14-15,30H,3-4,6-7,10-11H2,1H3,(H,25,32)(H2,26,27,28,29)/t17-,18+;15-,16+;2*15-,16-;;14-,15+/m1010.1/s1
• InChIKey: BTUYQVHORGZVLO-DDNJCQITSA-N
• XLogP: 17.79
• TPSA: 848.64 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 49
• Rotatable Bonds: 46
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3058.77
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide?

The IUPAC name of 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide (CID 157460114) is 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide.

What is the SMILES notation for 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide?

The canonical SMILES for 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide is COCCNC(=O)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@@H](CO)OC4)c23)c(Cl)c1.O=C(NCCN1CCOCC1)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@@H](CO)OC4)c23)c(Cl)c1.O=C(Nc1ccccn1)c1ccc(C(=O)c2c[nH]c3ncnc(NC4CCC(CO)OC4)c23)c(Cl)c1.O=C(Nc1ccccn1)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@@H]4CC[C@H](CO)OC4)c23)c(Cl)c1.O=C(Nc1ccccn1)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@H]4CC[C@@H](CO)OC4)c23)c(Cl)c1.O=C(Nc1ccccn1)c1ccc(C(=O)c2c[nH]c3ncnc(N[C@H]4CC[C@H](CO)OC4)c23)c(Cl)c1.

What is the InChIKey of 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide?

The InChIKey is BTUYQVHORGZVLO-DDNJCQITSA-N. The full InChI is InChI=1S/C26H31ClN6O5.4C25H23ClN6O4.C23H26ClN5O5/c27-21-11-16(26(36)28-5-6-33-7-9-37-10-8-33)1-4-19(21)23(35)20-12-29-24-22(20)25(31-15-30-24)32-17-2-3-18(13-34)38-14-17;4*26-19-9-14(25(35)32-20-3-1-2-8-27-20)4-7-17(19)22(34)18-10-28-23-21(18)24(30-13-29-23)31-15-5-6-16(11-33)36-12-15;1-33-7-6-25-23(32)13-2-5-16(18(24)8-13)20(31)17-9-26-21-19(17)22(28-12-27-21)29-14-3-4-15(10-30)34-11-14/h1,4,11-12,15,17-18,34H,2-3,5-10,13-14H2,(H,28,36)(H2,29,30,31,32);4*1-4,7-10,13,15-16,33H,5-6,11-12H2,(H,27,32,35)(H2,28,29,30,31);2,5,8-9,12,14-15,30H,3-4,6-7,10-11H2,1H3,(H,25,32)(H2,26,27,28,29)/t17-,18+;15-,16+;2*15-,16-;;14-,15+/m1010.1/s1.

What are the key properties of 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide?

3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide has a molecular weight of 3058.77 g/mol, XLogP of 17.79, 46 rotatable bonds, 24 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-methoxyethyl)benzamide;3-chloro-4-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-(2-morpholin-4-ylethyl)benzamide;3-chloro-4-[4-[[(3S,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3S,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[(3R,6R)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide;3-chloro-4-[4-[[6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 157460114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).