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

C32H28N8O3 — CID 137041811

IUPACN-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc7c(c6)OCO7)c5[nH]4)c3n2)c1
InChIInChI=1S/C32H28N8O3/c41-27(12-18-4-2-1-3-5-18)35-21-13-20(15-33-16-21)23-7-8-24-29(36-23)30(40-39-24)32-37-28-22(10-11-34-31(28)38-32)19-6-9-25-26(14-19)43-17-42-25/h6-11,13-16,18H,1-5,12,17H2,(H,35,41)(H,39,40)(H,34,37,38)
InChIKeyPOYLWKDFAMJTFX-UHFFFAOYSA-N
MW572.63 g/mol
LogP6.26
Rot. Bonds6

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

N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide (PubChem CID 137041811) has the molecular formula C32H28N8O3 and a molecular weight of 572.63 g/mol. Its IUPAC name is N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide
PubChem CID137041811
Molecular FormulaC32H28N8O3
Molecular Weight572.63 g/mol
Exact Mass572.23
IUPAC NameN-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc7c(c6)OCO7)c5[nH]4)c3n2)c1
InChIInChI=1S/C32H28N8O3/c41-27(12-18-4-2-1-3-5-18)35-21-13-20(15-33-16-21)23-7-8-24-29(36-23)30(40-39-24)32-37-28-22(10-11-34-31(28)38-32)19-6-9-25-26(14-19)43-17-42-25/h6-11,13-16,18H,1-5,12,17H2,(H,35,41)(H,39,40)(H,34,37,38)
InChIKeyPOYLWKDFAMJTFX-UHFFFAOYSA-N
XLogP6.26
TPSA143.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.63
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide?
The IUPAC name of N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide (CID 137041811) is N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc7c(c6)OCO7)c5[nH]4)c3n2)c1.
What is the InChIKey of N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide?
The InChIKey is POYLWKDFAMJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N8O3/c41-27(12-18-4-2-1-3-5-18)35-21-13-20(15-33-16-21)23-7-8-24-29(36-23)30(40-39-24)32-37-28-22(10-11-34-31(28)38-32)19-6-9-25-26(14-19)43-17-42-25/h6-11,13-16,18H,1-5,12,17H2,(H,35,41)(H,39,40)(H,34,37,38).
What are the key properties of N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide?
N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide has a molecular weight of 572.63 g/mol, XLogP of 6.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-cyclohexylacetamide is sourced from PubChem (CID 137041811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).