N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine

C41H37ClFIN10O — CID 158921951

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12.Ic1c[nH]c2ccncc12.[2H]CF.c1cc2[nH]ccc2cn1
InChIInChI=1S/C26H23ClN6O.C7H5IN2.C7H6N2.CH3F/c1-15-7-25(28)32-16(2)20(15)12-31-26(34)22-14-33(24-5-6-29-11-21(22)24)13-17-3-4-23-18(8-17)9-19(27)10-30-23;8-6-4-10-7-1-2-9-3-5(6)7;1-4-9-7-2-3-8-5-6(1)7;1-2/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34);1-4,10H;1-5,9H;1H3/i;;;1D
InChIKeyJHYCCWHHFGGKLL-PBJKEDEQSA-N
MW868.18 g/mol
LogP9.13
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine (PubChem CID 158921951) has the molecular formula C41H37ClFIN10O and a molecular weight of 868.18 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine
PubChem CID158921951
Molecular FormulaC41H37ClFIN10O
Molecular Weight868.18 g/mol
Exact Mass867.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12.Ic1c[nH]c2ccncc12.[2H]CF.c1cc2[nH]ccc2cn1
InChIInChI=1S/C26H23ClN6O.C7H5IN2.C7H6N2.CH3F/c1-15-7-25(28)32-16(2)20(15)12-31-26(34)22-14-33(24-5-6-29-11-21(22)24)13-17-3-4-23-18(8-17)9-19(27)10-30-23;8-6-4-10-7-1-2-9-3-5(6)7;1-4-9-7-2-3-8-5-6(1)7;1-2/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34);1-4,10H;1-5,9H;1H3/i;;;1D
InChIKeyJHYCCWHHFGGKLL-PBJKEDEQSA-N
XLogP9.13
TPSA156.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.18
LogP ≤ 59.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine (CID 158921951) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12.Ic1c[nH]c2ccncc12.[2H]CF.c1cc2[nH]ccc2cn1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
The InChIKey is JHYCCWHHFGGKLL-PBJKEDEQSA-N. The full InChI is InChI=1S/C26H23ClN6O.C7H5IN2.C7H6N2.CH3F/c1-15-7-25(28)32-16(2)20(15)12-31-26(34)22-14-33(24-5-6-29-11-21(22)24)13-17-3-4-23-18(8-17)9-19(27)10-30-23;8-6-4-10-7-1-2-9-3-5(6)7;1-4-9-7-2-3-8-5-6(1)7;1-2/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34);1-4,10H;1-5,9H;1H3/i;;;1D.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine has a molecular weight of 868.18 g/mol, XLogP of 9.13, 5 rotatable bonds, 4 hydrogen bond donors, and 8 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]pyrrolo[3,2-c]pyridine-3-carboxamide;deuterio(fluoro)methane;3-iodo-1H-pyrrolo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 158921951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).