6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

C23H27N7O2 — CID 5330276

IUPAC6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C23H27N7O2/c1-15(31)19-12-16-13-26-23(28-21(16)30(22(19)32)17-4-2-3-5-17)27-20-7-6-18(14-25-20)29-10-8-24-9-11-29/h6-7,12-14,17,24H,2-5,8-11H2,1H3,(H,25,26,27,28)
InChIKeyHDKXXEJJLTXATL-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.66
Rot. Bonds5

About 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330276) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330276
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C23H27N7O2/c1-15(31)19-12-16-13-26-23(28-21(16)30(22(19)32)17-4-2-3-5-17)27-20-7-6-18(14-25-20)29-10-8-24-9-11-29/h6-7,12-14,17,24H,2-5,8-11H2,1H3,(H,25,26,27,28)
InChIKeyHDKXXEJJLTXATL-UHFFFAOYSA-N
XLogP2.66
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

CID 5330286
CID 5330286
CID 56649281
CID 56649281
CID 86279927
CID 86279927
CID 11431660
CID 11431660
CID 5330223
CID 5330223
CID 5330225
CID 5330225
CID 5330226
CID 5330226
CID 5330227
CID 5330227
CID 5330228
CID 5330228
CID 5330231
CID 5330231
CID 5330232
CID 5330232
CID 5330250
CID 5330250

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330276) is 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HDKXXEJJLTXATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15(31)19-12-16-13-26-23(28-21(16)30(22(19)32)17-4-2-3-5-17)27-20-7-6-18(14-25-20)29-10-8-24-9-11-29/h6-7,12-14,17,24H,2-5,8-11H2,1H3,(H,25,26,27,28).
What are the key properties of 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 433.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).