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

C41H38ClIN10O — CID 158336978

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine
SMILESC.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cccnc12.Ic1c[nH]c2cccnc12.c1cnc2cc[nH]c2c1
InChIInChI=1S/C26H23ClN6O.C7H5IN2.C7H6N2.CH4/c1-15-8-24(28)32-16(2)20(15)12-31-26(34)21-14-33(23-4-3-7-29-25(21)23)13-17-5-6-22-18(9-17)10-19(27)11-30-22;8-5-4-10-6-2-1-3-9-7(5)6;1-2-6-7(8-4-1)3-5-9-6;/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34);1-4,10H;1-5,9H;1H4
InChIKeyGQRWGHDLTKBUCR-UHFFFAOYSA-N
MW849.18 g/mol
LogP9.18
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine (PubChem CID 158336978) has the molecular formula C41H38ClIN10O and a molecular weight of 849.18 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine
PubChem CID158336978
Molecular FormulaC41H38ClIN10O
Molecular Weight849.18 g/mol
Exact Mass848.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine
SMILESC.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cccnc12.Ic1c[nH]c2cccnc12.c1cnc2cc[nH]c2c1
InChIInChI=1S/C26H23ClN6O.C7H5IN2.C7H6N2.CH4/c1-15-8-24(28)32-16(2)20(15)12-31-26(34)21-14-33(23-4-3-7-29-25(21)23)13-17-5-6-22-18(9-17)10-19(27)11-30-22;8-5-4-10-6-2-1-3-9-7(5)6;1-2-6-7(8-4-1)3-5-9-6;/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34);1-4,10H;1-5,9H;1H4
InChIKeyGQRWGHDLTKBUCR-UHFFFAOYSA-N
XLogP9.18
TPSA156.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.18
LogP ≤ 59.18
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-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

3-[4-[(3S)-3-aminopiperidin-1-yl]-3-[(3-chlorophenyl)methylamino]quinolin-6-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 135145460
US10023557, Example 310
CID 124182447
US10301284, Example 34
CID 134178018
US10301284, Example 9
CID 134178190
US10301284, Example 117
CID 134178358
US10301284, Example 8
CID 134178464
US10301284, Example 11
CID 134178472
US10301284, Example 35
CID 134178507
US10301284, Example 123
CID 134178629
US10301284, Example 16
CID 134178685
US10301284, Example 133
CID 134178831
US10301284, Example 134
CID 134178983

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-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine (CID 158336978) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]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-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine is C.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cccnc12.Ic1c[nH]c2cccnc12.c1cnc2cc[nH]c2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine?
The InChIKey is GQRWGHDLTKBUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O.C7H5IN2.C7H6N2.CH4/c1-15-8-24(28)32-16(2)20(15)12-31-26(34)21-14-33(23-4-3-7-29-25(21)23)13-17-5-6-22-18(9-17)10-19(27)11-30-22;8-5-4-10-6-2-1-3-9-7(5)6;1-2-6-7(8-4-1)3-5-9-6;/h3-11,14H,12-13H2,1-2H3,(H2,28,32)(H,31,34);1-4,10H;1-5,9H;1H4.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine has a molecular weight of 849.18 g/mol, XLogP of 9.18, 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-b]pyridine-3-carboxamide;3-iodo-1H-pyrrolo[3,2-b]pyridine;methane;1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 158336978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).