2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine

C70H68Cl5FN24O5 — CID 160794212

About 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine

2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine (PubChem CID 160794212) has the molecular formula C70H68Cl5FN24O5 and a molecular weight of 1521.74 g/mol. Its IUPAC name is 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine.

Molecular Properties

• Compound Name: 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine
• PubChem CID: 160794212
• Molecular Formula: C70H68Cl5FN24O5
• Molecular Weight: 1521.74 g/mol
• Exact Mass: 1518.42
• IUPAC Name: 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine
• SMILES: CC(=O)N1CCC(n2ccc3c(CCc4ccco4)nc(Cl)nc32)CC1.CN(C)C(=O)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.Cc1cc(CNc2nc(Cl)nc3nc[nH]c23)ccn1.Clc1cc(NCc2ccco2)c2[nH]cnc2n1.FCCn1ccc2c(NCc3ccncc3)nc(Cl)nc21
• InChI: InChI=1S/C19H21ClN4O2.C14H13ClFN5.C14H14ClN5O2.C12H11ClN6.C11H9ClN4O/c1-13(25)23-9-6-14(7-10-23)24-11-8-16-17(21-19(20)22-18(16)24)5-4-15-3-2-12-26-15;15-14-19-12(18-9-10-1-5-17-6-2-10)11-3-7-21(8-4-16)13(11)20-14;1-20(2)13(21)10-6-9-11(16-7-8-4-3-5-22-8)18-14(15)19-12(9)17-10;1-7-4-8(2-3-14-7)5-15-10-9-11(17-6-16-9)19-12(13)18-10;12-9-4-8(10-11(16-9)15-6-14-10)13-5-7-2-1-3-17-7/h2-3,8,11-12,14H,4-7,9-10H2,1H3;1-3,5-7H,4,8-9H2,(H,18,19,20);3-6H,7H2,1-2H3,(H2,16,17,18,19);2-4,6H,5H2,1H3,(H2,15,16,17,18,19);1-4,6H,5H2,(H2,13,14,15,16)
• InChIKey: SCFKYUCIRSWECV-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 352.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1521.74
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine?

The IUPAC name of 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine (CID 160794212) is 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine.

What is the SMILES notation for 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine?

The canonical SMILES for 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine is CC(=O)N1CCC(n2ccc3c(CCc4ccco4)nc(Cl)nc32)CC1.CN(C)C(=O)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.Cc1cc(CNc2nc(Cl)nc3nc[nH]c23)ccn1.Clc1cc(NCc2ccco2)c2[nH]cnc2n1.FCCn1ccc2c(NCc3ccncc3)nc(Cl)nc21.

What is the InChIKey of 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine?

The InChIKey is SCFKYUCIRSWECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2.C14H13ClFN5.C14H14ClN5O2.C12H11ClN6.C11H9ClN4O/c1-13(25)23-9-6-14(7-10-23)24-11-8-16-17(21-19(20)22-18(16)24)5-4-15-3-2-12-26-15;15-14-19-12(18-9-10-1-5-17-6-2-10)11-3-7-21(8-4-16)13(11)20-14;1-20(2)13(21)10-6-9-11(16-7-8-4-3-5-22-8)18-14(15)19-12(9)17-10;1-7-4-8(2-3-14-7)5-15-10-9-11(17-6-16-9)19-12(13)18-10;12-9-4-8(10-11(16-9)15-6-14-10)13-5-7-2-1-3-17-7/h2-3,8,11-12,14H,4-7,9-10H2,1H3;1-3,5-7H,4,8-9H2,(H,18,19,20);3-6H,7H2,1-2H3,(H2,16,17,18,19);2-4,6H,5H2,1H3,(H2,15,16,17,18,19);1-4,6H,5H2,(H2,13,14,15,16).

What are the key properties of 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine?

2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine has a molecular weight of 1521.74 g/mol, XLogP of 14.36, 19 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-(2-fluoroethyl)-N-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[4-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;2-chloro-4-(furan-2-ylmethylamino)-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;5-chloro-N-(furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine;2-chloro-N-[(2-methyl-4-pyridinyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 160794212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).