methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline

C52H56N18O3 — CID 163838140

About methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline

methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline (PubChem CID 163838140) has the molecular formula C52H56N18O3 and a molecular weight of 981.14 g/mol. Its IUPAC name is methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline.

Molecular Properties

• Compound Name: methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline
• PubChem CID: 163838140
• Molecular Formula: C52H56N18O3
• Molecular Weight: 981.14 g/mol
• Exact Mass: 980.48
• IUPAC Name: methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline
• SMILES: C.Cc1cc(-c2cc(N)n[nH]2)ccn1.Cc1cc(-c2cc(NC(=O)Nc3ccc(-c4cc5c(N6CCOCC6)ncnc5[nH]4)cc3)n[nH]2)ccn1.Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1
• InChI: InChI=1S/C26H25N9O2.C16H17N5O.C9H10N4.CH4/c1-16-12-18(6-7-27-16)22-14-23(34-33-22)32-26(36)30-19-4-2-17(3-5-19)21-13-20-24(31-21)28-15-29-25(20)35-8-10-37-11-9-35;17-12-3-1-11(2-4-12)14-9-13-15(20-14)18-10-19-16(13)21-5-7-22-8-6-21;1-6-4-7(2-3-11-6)8-5-9(10)13-12-8;/h2-7,12-15H,8-11H2,1H3,(H,28,29,31)(H3,30,32,33,34,36);1-4,9-10H,5-8,17H2,(H,18,19,20);2-5H,1H3,(H3,10,12,13);1H4
• InChIKey: OJOUOZMXDRLIGN-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 284.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	981.14
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline?

The IUPAC name of methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline (CID 163838140) is methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline.

What is the SMILES notation for methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline?

The canonical SMILES for methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline is C.Cc1cc(-c2cc(N)n[nH]2)ccn1.Cc1cc(-c2cc(NC(=O)Nc3ccc(-c4cc5c(N6CCOCC6)ncnc5[nH]4)cc3)n[nH]2)ccn1.Nc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.

What is the InChIKey of methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline?

The InChIKey is OJOUOZMXDRLIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O2.C16H17N5O.C9H10N4.CH4/c1-16-12-18(6-7-27-16)22-14-23(34-33-22)32-26(36)30-19-4-2-17(3-5-19)21-13-20-24(31-21)28-15-29-25(20)35-8-10-37-11-9-35;17-12-3-1-11(2-4-12)14-9-13-15(20-14)18-10-19-16(13)21-5-7-22-8-6-21;1-6-4-7(2-3-11-6)8-5-9(10)13-12-8;/h2-7,12-15H,8-11H2,1H3,(H,28,29,31)(H3,30,32,33,34,36);1-4,9-10H,5-8,17H2,(H,18,19,20);2-5H,1H3,(H3,10,12,13);1H4.

What are the key properties of methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline?

methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline has a molecular weight of 981.14 g/mol, XLogP of 8.24, 8 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for methane;5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-amine;1-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]urea;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline is sourced from PubChem (CID 163838140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).