2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide

C29H26N8OS — CID 137311795

IUPAC2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESO=C(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccs6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C29H26N8OS/c38-28(8-17-3-5-30-6-4-17)34-19-9-18(12-31-13-19)23-11-21-26(16-33-23)36-37-29(21)24-10-20-22(27-2-1-7-39-27)14-32-15-25(20)35-24/h1-2,7,9-17,30,35H,3-6,8H2,(H,34,38)(H,36,37)
InChIKeyATKROYWVWICYKC-UHFFFAOYSA-N
MW534.65 g/mol
LogP5.62
Rot. Bonds6

About 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide

2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137311795) has the molecular formula C29H26N8OS and a molecular weight of 534.65 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID137311795
Molecular FormulaC29H26N8OS
Molecular Weight534.65 g/mol
Exact Mass534.20
IUPAC Name2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESO=C(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccs6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C29H26N8OS/c38-28(8-17-3-5-30-6-4-17)34-19-9-18(12-31-13-19)23-11-21-26(16-33-23)36-37-29(21)24-10-20-22(27-2-1-7-39-27)14-32-15-25(20)35-24/h1-2,7,9-17,30,35H,3-6,8H2,(H,34,38)(H,36,37)
InChIKeyATKROYWVWICYKC-UHFFFAOYSA-N
XLogP5.62
TPSA124.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.65
LogP ≤ 55.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide with MolForge

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Related Compounds

2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137112817
2-piperidin-4-yl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136947314
2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137040262
2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137115024
N-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137113716
N-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137114114
N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137113126
3-methyl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137117025
2-piperidin-4-yl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136947286
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 136944380
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137112172
N-[5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137112256

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137311795) is 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCNCC1)Nc1cncc(-c2cc3c(-c4cc5c(-c6cccs6)cncc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is ATKROYWVWICYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8OS/c38-28(8-17-3-5-30-6-4-17)34-19-9-18(12-31-13-19)23-11-21-26(16-33-23)36-37-29(21)24-10-20-22(27-2-1-7-39-27)14-32-15-25(20)35-24/h1-2,7,9-17,30,35H,3-6,8H2,(H,34,38)(H,36,37).
What are the key properties of 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide?
2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 534.65 g/mol, XLogP of 5.62, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137311795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).