N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide

C31H27N7O — CID 137040727

IUPACN-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)C1CCCCC1
InChIInChI=1S/C31H27N7O/c39-31(20-5-2-1-3-6-20)35-23-13-21(16-33-18-23)22-14-26-29(37-38-30(26)34-17-22)28-15-25-24(7-4-8-27(25)36-28)19-9-11-32-12-10-19/h4,7-18,20,36H,1-3,5-6H2,(H,35,39)(H,34,37,38)
InChIKeyNDKGTMXBZGWNCS-UHFFFAOYSA-N
MW513.61 g/mol
LogP6.75
Rot. Bonds5

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

N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 137040727) has the molecular formula C31H27N7O and a molecular weight of 513.61 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID137040727
Molecular FormulaC31H27N7O
Molecular Weight513.61 g/mol
Exact Mass513.23
IUPAC NameN-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)C1CCCCC1
InChIInChI=1S/C31H27N7O/c39-31(20-5-2-1-3-6-20)35-23-13-21(16-33-18-23)22-14-26-29(37-38-30(26)34-17-22)28-15-25-24(7-4-8-27(25)36-28)19-9-11-32-12-10-19/h4,7-18,20,36H,1-3,5-6H2,(H,35,39)(H,34,37,38)
InChIKeyNDKGTMXBZGWNCS-UHFFFAOYSA-N
XLogP6.75
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.61
LogP ≤ 56.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137040957
N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137041335
N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137102715
N-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137041256
N-[5-[3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137088816
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137310881
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137040746
N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137113777
N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137041096
N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137055291
2-cyclohexyl-N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137041397
N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137145130

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 137040727) is N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccncc6)cccc5[nH]4)c3c2)c1)C1CCCCC1.
What is the InChIKey of N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is NDKGTMXBZGWNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N7O/c39-31(20-5-2-1-3-6-20)35-23-13-21(16-33-18-23)22-14-26-29(37-38-30(26)34-17-22)28-15-25-24(7-4-8-27(25)36-28)19-9-11-32-12-10-19/h4,7-18,20,36H,1-3,5-6H2,(H,35,39)(H,34,37,38).
What are the key properties of N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 513.61 g/mol, XLogP of 6.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 137040727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).