6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine

C30H27N7 — CID 174087071

IUPAC6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine
SMILESCc1cc(Cc2ccc3[nH]c(-c4ccc(Nc5ccnc6ccc(N(C)C)cc56)cc4)nc3n2)ccn1
InChIInChI=1S/C30H27N7/c1-19-16-20(12-14-31-19)17-23-8-10-28-30(34-23)36-29(35-28)21-4-6-22(7-5-21)33-27-13-15-32-26-11-9-24(37(2)3)18-25(26)27/h4-16,18H,17H2,1-3H3,(H,32,33)(H,34,35,36)
InChIKeyVQLRLLKHUYBYRM-UHFFFAOYSA-N
MW485.60 g/mol
LogP6.28
Rot. Bonds6

About 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine

6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine (PubChem CID 174087071) has the molecular formula C30H27N7 and a molecular weight of 485.60 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine
PubChem CID174087071
Molecular FormulaC30H27N7
Molecular Weight485.60 g/mol
Exact Mass485.23
IUPAC Name6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine
SMILESCc1cc(Cc2ccc3[nH]c(-c4ccc(Nc5ccnc6ccc(N(C)C)cc56)cc4)nc3n2)ccn1
InChIInChI=1S/C30H27N7/c1-19-16-20(12-14-31-19)17-23-8-10-28-30(34-23)36-29(35-28)21-4-6-22(7-5-21)33-27-13-15-32-26-11-9-24(37(2)3)18-25(26)27/h4-16,18H,17H2,1-3H3,(H,32,33)(H,34,35,36)
InChIKeyVQLRLLKHUYBYRM-UHFFFAOYSA-N
XLogP6.28
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.60
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine (CID 174087071) is 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine is Cc1cc(Cc2ccc3[nH]c(-c4ccc(Nc5ccnc6ccc(N(C)C)cc56)cc4)nc3n2)ccn1.
What is the InChIKey of 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine?
The InChIKey is VQLRLLKHUYBYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7/c1-19-16-20(12-14-31-19)17-23-8-10-28-30(34-23)36-29(35-28)21-4-6-22(7-5-21)33-27-13-15-32-26-11-9-24(37(2)3)18-25(26)27/h4-16,18H,17H2,1-3H3,(H,32,33)(H,34,35,36).
What are the key properties of 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine?
6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine has a molecular weight of 485.60 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-4-N-[4-[5-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine is sourced from PubChem (CID 174087071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).