8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one

C24H26N8O2 — CID 58299985

IUPAC8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
SMILESO=C(c1ccc(Nc2ncc3c4cc[nH]c(=O)c4n(C4CCCC4)c3n2)nc1)N1CCNCC1
InChIInChI=1S/C24H26N8O2/c33-22-20-17(7-8-26-22)18-14-28-24(30-21(18)32(20)16-3-1-2-4-16)29-19-6-5-15(13-27-19)23(34)31-11-9-25-10-12-31/h5-8,13-14,16,25H,1-4,9-12H2,(H,26,33)(H,27,28,29,30)
InChIKeyGUCGYHAOAHKLNB-UHFFFAOYSA-N
MW458.53 g/mol
LogP2.57
Rot. Bonds4

About 8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one

8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one (PubChem CID 58299985) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one.

Molecular Properties

Compound Name8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
PubChem CID58299985
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
SMILESO=C(c1ccc(Nc2ncc3c4cc[nH]c(=O)c4n(C4CCCC4)c3n2)nc1)N1CCNCC1
InChIInChI=1S/C24H26N8O2/c33-22-20-17(7-8-26-22)18-14-28-24(30-21(18)32(20)16-3-1-2-4-16)29-19-6-5-15(13-27-19)23(34)31-11-9-25-10-12-31/h5-8,13-14,16,25H,1-4,9-12H2,(H,26,33)(H,27,28,29,30)
InChIKeyGUCGYHAOAHKLNB-UHFFFAOYSA-N
XLogP2.57
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one?
The IUPAC name of 8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one (CID 58299985) is 8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one.
What is the SMILES notation for 8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one?
The canonical SMILES for 8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one is O=C(c1ccc(Nc2ncc3c4cc[nH]c(=O)c4n(C4CCCC4)c3n2)nc1)N1CCNCC1.
What is the InChIKey of 8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one?
The InChIKey is GUCGYHAOAHKLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c33-22-20-17(7-8-26-22)18-14-28-24(30-21(18)32(20)16-3-1-2-4-16)29-19-6-5-15(13-27-19)23(34)31-11-9-25-10-12-31/h5-8,13-14,16,25H,1-4,9-12H2,(H,26,33)(H,27,28,29,30).
What are the key properties of 8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one?
8-cyclopentyl-5-[[5-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one has a molecular weight of 458.53 g/mol, XLogP of 2.57, 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-(piperazine-1-carbonyl)-2-pyridinyl]amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one is sourced from PubChem (CID 58299985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).