[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one

C60H47Cl5N12O3 — CID 159780567

About [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one

[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one (PubChem CID 159780567) has the molecular formula C60H47Cl5N12O3 and a molecular weight of 1161.38 g/mol. Its IUPAC name is [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one
• PubChem CID: 159780567
• Molecular Formula: C60H47Cl5N12O3
• Molecular Weight: 1161.38 g/mol
• Exact Mass: 1158.23
• IUPAC Name: [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one
• SMILES: O=C(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.O=c1[nH]c(NCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.OC(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12
• InChI: InChI=1S/C20H16Cl2N4O.C20H14Cl2N4O.C20H17ClN4O/c2*21-13-5-3-12(4-6-13)10-24-17-8-7-15(19(22)26-17)18(27)16-11-25-20-14(16)2-1-9-23-20;21-16-6-3-13(4-7-16)11-23-18-8-5-14(20(26)25-18)10-15-12-24-19-17(15)2-1-9-22-19/h1-9,11,18,27H,10H2,(H,23,25)(H,24,26);1-9,11H,10H2,(H,23,25)(H,24,26);1-9,12H,10-11H2,(H,22,24)(H2,23,25,26)
• InChIKey: NHHOJBGMGJMFKP-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 218.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1161.38
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one?

The IUPAC name of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one (CID 159780567) is [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one.

What is the SMILES notation for [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one?

The canonical SMILES for [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one is O=C(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.O=c1[nH]c(NCc2ccc(Cl)cc2)ccc1Cc1c[nH]c2ncccc12.OC(c1ccc(NCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.

What is the InChIKey of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one?

The InChIKey is NHHOJBGMGJMFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O.C20H14Cl2N4O.C20H17ClN4O/c2*21-13-5-3-12(4-6-13)10-24-17-8-7-15(19(22)26-17)18(27)16-11-25-20-14(16)2-1-9-23-20;21-16-6-3-13(4-7-16)11-23-18-8-5-14(20(26)25-18)10-15-12-24-19-17(15)2-1-9-22-19/h1-9,11,18,27H,10H2,(H,23,25)(H,24,26);1-9,11H,10H2,(H,23,25)(H,24,26);1-9,12H,10-11H2,(H,22,24)(H2,23,25,26).

What are the key properties of [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one?

[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one has a molecular weight of 1161.38 g/mol, XLogP of 14.17, 15 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;6-[(4-chlorophenyl)methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 159780567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).