7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine

C31H36N10O2 — CID 134455607

IUPAC7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3ccc(N4CCCCC4)cn3)nc3c2ncn3C2CCCCO2)cccc1-c1ncn(C)n1
InChIInChI=1S/C31H36N10O2/c1-39-19-34-30(38-39)22-9-8-10-23(29(22)42-2)35-24-17-26(36-25-13-12-21(18-32-25)40-14-5-3-6-15-40)37-31-28(24)33-20-41(31)27-11-4-7-16-43-27/h8-10,12-13,17-20,27H,3-7,11,14-16H2,1-2H3,(H2,32,35,36,37)
InChIKeyHQFJEINKGQPERM-UHFFFAOYSA-N
MW580.70 g/mol
LogP5.81
Rot. Bonds8

About 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine

7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455607) has the molecular formula C31H36N10O2 and a molecular weight of 580.70 g/mol. Its IUPAC name is 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455607
Molecular FormulaC31H36N10O2
Molecular Weight580.70 g/mol
Exact Mass580.30
IUPAC Name7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3ccc(N4CCCCC4)cn3)nc3c2ncn3C2CCCCO2)cccc1-c1ncn(C)n1
InChIInChI=1S/C31H36N10O2/c1-39-19-34-30(38-39)22-9-8-10-23(29(22)42-2)35-24-17-26(36-25-13-12-21(18-32-25)40-14-5-3-6-15-40)37-31-28(24)33-20-41(31)27-11-4-7-16-43-27/h8-10,12-13,17-20,27H,3-7,11,14-16H2,1-2H3,(H2,32,35,36,37)
InChIKeyHQFJEINKGQPERM-UHFFFAOYSA-N
XLogP5.81
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500580.70
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine (CID 134455607) is 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3ccc(N4CCCCC4)cn3)nc3c2ncn3C2CCCCO2)cccc1-c1ncn(C)n1.
What is the InChIKey of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is HQFJEINKGQPERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N10O2/c1-39-19-34-30(38-39)22-9-8-10-23(29(22)42-2)35-24-17-26(36-25-13-12-21(18-32-25)40-14-5-3-6-15-40)37-31-28(24)33-20-41(31)27-11-4-7-16-43-27/h8-10,12-13,17-20,27H,3-7,11,14-16H2,1-2H3,(H2,32,35,36,37).
What are the key properties of 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine?
7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 580.70 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).