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

C24H28N8O — CID 58299854

IUPAC8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one
SMILESCn1c(=O)ccc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c21
InChIInChI=1S/C24H28N8O/c1-30-21(33)9-7-18-19-15-27-24(29-22(19)32(23(18)30)16-4-2-3-5-16)28-20-8-6-17(14-26-20)31-12-10-25-11-13-31/h6-9,14-16,25H,2-5,10-13H2,1H3,(H,26,27,28,29)
InChIKeyNVMQZCJPKNUECR-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.95
Rot. Bonds4

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

8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one (PubChem CID 58299854) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is 8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one.

Molecular Properties

Compound Name8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one
PubChem CID58299854
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC Name8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one
SMILESCn1c(=O)ccc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c21
InChIInChI=1S/C24H28N8O/c1-30-21(33)9-7-18-19-15-27-24(29-22(19)32(23(18)30)16-4-2-3-5-16)28-20-8-6-17(14-26-20)31-12-10-25-11-13-31/h6-9,14-16,25H,2-5,10-13H2,1H3,(H,26,27,28,29)
InChIKeyNVMQZCJPKNUECR-UHFFFAOYSA-N
XLogP2.95
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one?
The IUPAC name of 8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one (CID 58299854) is 8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one.
What is the SMILES notation for 8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one?
The canonical SMILES for 8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one is Cn1c(=O)ccc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c21.
What is the InChIKey of 8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one?
The InChIKey is NVMQZCJPKNUECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-30-21(33)9-7-18-19-15-27-24(29-22(19)32(23(18)30)16-4-2-3-5-16)28-20-8-6-17(14-26-20)31-12-10-25-11-13-31/h6-9,14-16,25H,2-5,10-13H2,1H3,(H,26,27,28,29).
What are the key properties of 8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one?
8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one has a molecular weight of 444.54 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-10-methyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-11-one is sourced from PubChem (CID 58299854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).