N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane

C40H35Br2ClF3N9O2 — CID 158143946

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane (PubChem CID 158143946) has the molecular formula C40H35Br2ClF3N9O2 and a molecular weight of 927.04 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane
• PubChem CID: 158143946
• Molecular Formula: C40H35Br2ClF3N9O2
• Molecular Weight: 927.04 g/mol
• Exact Mass: 924.10
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane
• SMILES: C.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cncc(C#N)c12.Fc1cncc(Br)c1.O=Cc1c(F)cncc1Br.[2H]CF
• InChI: InChI=1S/C27H22ClN7O.C6H3BrFNO.C5H3BrFN.CH3F.CH4/c1-15-5-25(30)34-16(2)21(15)11-33-27(36)22-14-35(24-12-31-9-19(8-29)26(22)24)13-17-3-4-23-18(6-17)7-20(28)10-32-23;7-5-1-9-2-6(8)4(5)3-10;6-4-1-5(7)3-8-2-4;1-2;/h3-7,9-10,12,14H,11,13H2,1-2H3,(H2,30,34)(H,33,36);1-3H;1-3H;1H3;1H4/i;;;1D
• InChIKey: FUGXKNUAIRIZCB-JLMMQWLNSA-N
• XLogP: 9.68
• TPSA: 165.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.04
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane (CID 158143946) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane is C.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cncc(C#N)c12.Fc1cncc(Br)c1.O=Cc1c(F)cncc1Br.[2H]CF.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane?

The InChIKey is FUGXKNUAIRIZCB-JLMMQWLNSA-N. The full InChI is InChI=1S/C27H22ClN7O.C6H3BrFNO.C5H3BrFN.CH3F.CH4/c1-15-5-25(30)34-16(2)21(15)11-33-27(36)22-14-35(24-12-31-9-19(8-29)26(22)24)13-17-3-4-23-18(6-17)7-20(28)10-32-23;7-5-1-9-2-6(8)4(5)3-10;6-4-1-5(7)3-8-2-4;1-2;/h3-7,9-10,12,14H,11,13H2,1-2H3,(H2,30,34)(H,33,36);1-3H;1-3H;1H3;1H4/i;;;1D;.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane has a molecular weight of 927.04 g/mol, XLogP of 9.68, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-c]pyridine-3-carboxamide;3-bromo-5-fluoropyridine;3-bromo-5-fluoropyridine-4-carbaldehyde;deuterio(fluoro)methane;methane is sourced from PubChem (CID 158143946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).