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

C30H27N7OS — CID 137115024

IUPAC2-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
SMILESO=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C30H27N7OS/c38-28(13-18-8-10-31-11-9-18)33-20-14-19(16-32-17-20)23-6-7-25-29(35-23)30(37-36-25)26-15-22-21(27-5-2-12-39-27)3-1-4-24(22)34-26/h1-7,12,14-18,31,34H,8-11,13H2,(H,33,38)(H,36,37)
InChIKeyXWLYGVLZTMMLDB-UHFFFAOYSA-N
MW533.66 g/mol
LogP6.22
Rot. Bonds6

About 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

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 (PubChem CID 137115024) has the molecular formula C30H27N7OS and a molecular weight of 533.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID137115024
Molecular FormulaC30H27N7OS
Molecular Weight533.66 g/mol
Exact Mass533.20
IUPAC Name2-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
SMILESO=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C30H27N7OS/c38-28(13-18-8-10-31-11-9-18)33-20-14-19(16-32-17-20)23-6-7-25-29(35-23)30(37-36-25)26-15-22-21(27-5-2-12-39-27)3-1-4-24(22)34-26/h1-7,12,14-18,31,34H,8-11,13H2,(H,33,38)(H,36,37)
InChIKeyXWLYGVLZTMMLDB-UHFFFAOYSA-N
XLogP6.22
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.66
LogP ≤ 56.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 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-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137109755
N-[5-[3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137114276
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
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
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
2-piperidin-4-yl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137114728
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137115186
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
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137039011
2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137489276
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CC1CCNCC1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3n2)c1.
What is the InChIKey of 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?
The InChIKey is XWLYGVLZTMMLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7OS/c38-28(13-18-8-10-31-11-9-18)33-20-14-19(16-32-17-20)23-6-7-25-29(35-23)30(37-36-25)26-15-22-21(27-5-2-12-39-27)3-1-4-24(22)34-26/h1-7,12,14-18,31,34H,8-11,13H2,(H,33,38)(H,36,37).
What are the key properties of 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?
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 has a molecular weight of 533.66 g/mol, XLogP of 6.22, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137115024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).