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

C30H27N7OS — CID 137041274

IUPAC2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESO=C(CC1CCNCC1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H27N7OS/c38-28(10-18-4-7-31-8-5-18)34-22-11-20(14-32-16-22)21-12-25-29(36-37-30(25)33-15-21)27-13-24-23(19-6-9-39-17-19)2-1-3-26(24)35-27/h1-3,6,9,11-18,31,35H,4-5,7-8,10H2,(H,34,38)(H,33,36,37)
InChIKeyCWMWSQCTTNEOOO-UHFFFAOYSA-N
MW533.66 g/mol
LogP6.22
Rot. Bonds6

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

2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137041274) 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-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID137041274
Molecular FormulaC30H27N7OS
Molecular Weight533.66 g/mol
Exact Mass533.20
IUPAC Name2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESO=C(CC1CCNCC1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H27N7OS/c38-28(10-18-4-7-31-8-5-18)34-22-11-20(14-32-16-22)21-12-25-29(36-37-30(25)33-15-21)27-13-24-23(19-6-9-39-17-19)2-1-3-26(24)35-27/h1-3,6,9,11-18,31,35H,4-5,7-8,10H2,(H,34,38)(H,33,36,37)
InChIKeyCWMWSQCTTNEOOO-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-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide with MolForge

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Related Compounds

2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137040479
2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137311190
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137041668
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137040957
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-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-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137310834
N-[5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137040337
N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137040727
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
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
2-cyclohexyl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 138604193

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137041274) is 2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide is O=C(CC1CCNCC1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is CWMWSQCTTNEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7OS/c38-28(10-18-4-7-31-8-5-18)34-22-11-20(14-32-16-22)21-12-25-29(36-37-30(25)33-15-21)27-13-24-23(19-6-9-39-17-19)2-1-3-26(24)35-27/h1-3,6,9,11-18,31,35H,4-5,7-8,10H2,(H,34,38)(H,33,36,37).
What are the key properties of 2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-piperidin-4-yl-N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-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-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137041274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).