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

C30H27N7 — CID 174087050

IUPAC6-N,6-N-dimethyl-4-N-[4-[6-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine
SMILESCc1cc(Cc2cnc3nc(-c4ccc(Nc5ccnc6ccc(N(C)C)cc56)cc4)[nH]c3c2)ccn1
InChIInChI=1S/C30H27N7/c1-19-14-20(10-12-31-19)15-21-16-28-30(33-18-21)36-29(35-28)22-4-6-23(7-5-22)34-27-11-13-32-26-9-8-24(37(2)3)17-25(26)27/h4-14,16-18H,15H2,1-3H3,(H,32,34)(H,33,35,36)
InChIKeyVTSPTEAINPTPHG-UHFFFAOYSA-N
MW485.60 g/mol
LogP6.28
Rot. Bonds6

About 6-N,6-N-dimethyl-4-N-[4-[6-[(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-[6-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine (PubChem CID 174087050) 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-[6-[(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-[6-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine
PubChem CID174087050
Molecular FormulaC30H27N7
Molecular Weight485.60 g/mol
Exact Mass485.23
IUPAC Name6-N,6-N-dimethyl-4-N-[4-[6-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine
SMILESCc1cc(Cc2cnc3nc(-c4ccc(Nc5ccnc6ccc(N(C)C)cc56)cc4)[nH]c3c2)ccn1
InChIInChI=1S/C30H27N7/c1-19-14-20(10-12-31-19)15-21-16-28-30(33-18-21)36-29(35-28)22-4-6-23(7-5-22)34-27-11-13-32-26-9-8-24(37(2)3)17-25(26)27/h4-14,16-18H,15H2,1-3H3,(H,32,34)(H,33,35,36)
InChIKeyVTSPTEAINPTPHG-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-[6-[(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-[6-[(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-[6-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine (CID 174087050) is 6-N,6-N-dimethyl-4-N-[4-[6-[(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-[6-[(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-[6-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine is Cc1cc(Cc2cnc3nc(-c4ccc(Nc5ccnc6ccc(N(C)C)cc56)cc4)[nH]c3c2)ccn1.
What is the InChIKey of 6-N,6-N-dimethyl-4-N-[4-[6-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine?
The InChIKey is VTSPTEAINPTPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7/c1-19-14-20(10-12-31-19)15-21-16-28-30(33-18-21)36-29(35-28)22-4-6-23(7-5-22)34-27-11-13-32-26-9-8-24(37(2)3)17-25(26)27/h4-14,16-18H,15H2,1-3H3,(H,32,34)(H,33,35,36).
What are the key properties of 6-N,6-N-dimethyl-4-N-[4-[6-[(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-[6-[(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-[6-[(2-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]quinoline-4,6-diamine is sourced from PubChem (CID 174087050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).