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

C31H28N8O — CID 137114450

IUPAC2-piperidin-4-yl-N-[5-[3-(4-pyridin-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(-c6ccccn6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C31H28N8O/c40-29(14-19-9-12-32-13-10-19)35-21-15-20(17-33-18-21)24-7-8-27-30(37-24)31(39-38-27)28-16-23-22(4-3-6-26(23)36-28)25-5-1-2-11-34-25/h1-8,11,15-19,32,36H,9-10,12-14H2,(H,35,40)(H,38,39)
InChIKeyYFUBTGPRDYGABL-UHFFFAOYSA-N
MW528.62 g/mol
LogP5.56
Rot. Bonds6

About 2-piperidin-4-yl-N-[5-[3-(4-pyridin-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-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137114450) has the molecular formula C31H28N8O and a molecular weight of 528.62 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[5-[3-(4-pyridin-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-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID137114450
Molecular FormulaC31H28N8O
Molecular Weight528.62 g/mol
Exact Mass528.24
IUPAC Name2-piperidin-4-yl-N-[5-[3-(4-pyridin-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(-c6ccccn6)cccc5[nH]4)c3n2)c1
InChIInChI=1S/C31H28N8O/c40-29(14-19-9-12-32-13-10-19)35-21-15-20(17-33-18-21)24-7-8-27-30(37-24)31(39-38-27)28-16-23-22(4-3-6-26(23)36-28)25-5-1-2-11-34-25/h1-8,11,15-19,32,36H,9-10,12-14H2,(H,35,40)(H,38,39)
InChIKeyYFUBTGPRDYGABL-UHFFFAOYSA-N
XLogP5.56
TPSA124.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 55.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[5-[3-(4-pyridin-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-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137114450) is 2-piperidin-4-yl-N-[5-[3-(4-pyridin-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-pyridin-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-pyridin-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(-c6ccccn6)cccc5[nH]4)c3n2)c1.
What is the InChIKey of 2-piperidin-4-yl-N-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is YFUBTGPRDYGABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N8O/c40-29(14-19-9-12-32-13-10-19)35-21-15-20(17-33-18-21)24-7-8-27-30(37-24)31(39-38-27)28-16-23-22(4-3-6-26(23)36-28)25-5-1-2-11-34-25/h1-8,11,15-19,32,36H,9-10,12-14H2,(H,35,40)(H,38,39).
What are the key properties of 2-piperidin-4-yl-N-[5-[3-(4-pyridin-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-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 528.62 g/mol, XLogP of 5.56, 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-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137114450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).