8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one

C23H26N8O — CID 58299906

IUPAC8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one
SMILESO=c1cc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c2c[nH]1
InChIInChI=1S/C23H26N8O/c32-21-11-17-18-13-27-23(28-20-6-5-16(12-25-20)30-9-7-24-8-10-30)29-22(18)31(19(17)14-26-21)15-3-1-2-4-15/h5-6,11-15,24H,1-4,7-10H2,(H,26,32)(H,25,27,28,29)
InChIKeyHYDOSWLWKXMOGK-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.94
Rot. Bonds4

About 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one

8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one (PubChem CID 58299906) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one.

Molecular Properties

Compound Name8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one
PubChem CID58299906
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one
SMILESO=c1cc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c2c[nH]1
InChIInChI=1S/C23H26N8O/c32-21-11-17-18-13-27-23(28-20-6-5-16(12-25-20)30-9-7-24-8-10-30)29-22(18)31(19(17)14-26-21)15-3-1-2-4-15/h5-6,11-15,24H,1-4,7-10H2,(H,26,32)(H,25,27,28,29)
InChIKeyHYDOSWLWKXMOGK-UHFFFAOYSA-N
XLogP2.94
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Palbociclib
CID 5330286
Ribociclib
CID 44631912
Palbociclib hydrochloride
CID 11431660
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 68
CID 5330254
8-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330260
8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330261
Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
6-bromo-8-cyclopentyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330264
8-cyclopentyl-6-fluoro-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330265
Pyrido-[2,3-d]-pyrimidin-7-one 23
CID 5330266
8-cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330267

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one?
The IUPAC name of 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one (CID 58299906) is 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one.
What is the SMILES notation for 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one?
The canonical SMILES for 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one is O=c1cc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c2c[nH]1.
What is the InChIKey of 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one?
The InChIKey is HYDOSWLWKXMOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c32-21-11-17-18-13-27-23(28-20-6-5-16(12-25-20)30-9-7-24-8-10-30)29-22(18)31(19(17)14-26-21)15-3-1-2-4-15/h5-6,11-15,24H,1-4,7-10H2,(H,26,32)(H,25,27,28,29).
What are the key properties of 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one?
8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one has a molecular weight of 430.52 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9-pentaen-12-one is sourced from PubChem (CID 58299906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).