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

C22H27N7O — CID 5330263

IUPAC8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCCC1
InChIInChI=1S/C22H27N7O/c30-20-9-6-16-14-25-22(27-21(16)29(20)17-4-2-1-3-5-17)26-19-8-7-18(15-24-19)28-12-10-23-11-13-28/h6-9,14-15,17,23H,1-5,10-13H2,(H,24,25,26,27)
InChIKeyVNTYBILELZJQSX-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.84
Rot. Bonds4

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

8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330263) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330263
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCCC1
InChIInChI=1S/C22H27N7O/c30-20-9-6-16-14-25-22(27-21(16)29(20)17-4-2-1-3-5-17)26-19-8-7-18(15-24-19)28-12-10-23-11-13-28/h6-9,14-15,17,23H,1-5,10-13H2,(H,24,25,26,27)
InChIKeyVNTYBILELZJQSX-UHFFFAOYSA-N
XLogP2.84
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330263) is 8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCCC1.
What is the InChIKey of 8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VNTYBILELZJQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c30-20-9-6-16-14-25-22(27-21(16)29(20)17-4-2-1-3-5-17)26-19-8-7-18(15-24-19)28-12-10-23-11-13-28/h6-9,14-15,17,23H,1-5,10-13H2,(H,24,25,26,27).
What are the key properties of 8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 405.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).