N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C31H28N8O2 — CID 137109912

IUPACN-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCOc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)nc45)nc23)c1
InChIInChI=1S/C31H28N8O2/c1-41-22-9-5-8-19(13-22)23-16-33-17-26-27(23)37-30(36-26)29-28-25(38-39-29)11-10-24(35-28)20-12-21(15-32-14-20)34-31(40)18-6-3-2-4-7-18/h5,8-18H,2-4,6-7H2,1H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeyHTAKNIDVRHLBRP-UHFFFAOYSA-N
MW544.62 g/mol
LogP6.15
Rot. Bonds6

About N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide

N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 137109912) has the molecular formula C31H28N8O2 and a molecular weight of 544.62 g/mol. Its IUPAC name is N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID137109912
Molecular FormulaC31H28N8O2
Molecular Weight544.62 g/mol
Exact Mass544.23
IUPAC NameN-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESCOc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)nc45)nc23)c1
InChIInChI=1S/C31H28N8O2/c1-41-22-9-5-8-19(13-22)23-16-33-17-26-27(23)37-30(36-26)29-28-25(38-39-29)11-10-24(35-28)20-12-21(15-32-14-20)34-31(40)18-6-3-2-4-7-18/h5,8-18H,2-4,6-7H2,1H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeyHTAKNIDVRHLBRP-UHFFFAOYSA-N
XLogP6.15
TPSA134.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.62
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 137109912) is N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide is COc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)nc45)nc23)c1.
What is the InChIKey of N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is HTAKNIDVRHLBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N8O2/c1-41-22-9-5-8-19(13-22)23-16-33-17-26-27(23)37-30(36-26)29-28-25(38-39-29)11-10-24(35-28)20-12-21(15-32-14-20)34-31(40)18-6-3-2-4-7-18/h5,8-18H,2-4,6-7H2,1H3,(H,34,40)(H,36,37)(H,38,39).
What are the key properties of N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 544.62 g/mol, XLogP of 6.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 137109912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).