5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one

C23H26FN7O — CID 175582350

IUPAC5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
SMILESNc1nc(-c2ccc(N3CCNCC3)cn2)nc(-c2ccc(=O)n(C3CCCC3)c2)c1F
InChIInChI=1S/C23H26FN7O/c24-20-21(15-5-8-19(32)31(14-15)16-3-1-2-4-16)28-23(29-22(20)25)18-7-6-17(13-27-18)30-11-9-26-10-12-30/h5-8,13-14,16,26H,1-4,9-12H2,(H2,25,28,29)
InChIKeyKLLNNHLNOYJXFK-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.61
Rot. Bonds4

About 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one

5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one (PubChem CID 175582350) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one.

Molecular Properties

Compound Name5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
PubChem CID175582350
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one
SMILESNc1nc(-c2ccc(N3CCNCC3)cn2)nc(-c2ccc(=O)n(C3CCCC3)c2)c1F
InChIInChI=1S/C23H26FN7O/c24-20-21(15-5-8-19(32)31(14-15)16-3-1-2-4-16)28-23(29-22(20)25)18-7-6-17(13-27-18)30-11-9-26-10-12-30/h5-8,13-14,16,26H,1-4,9-12H2,(H2,25,28,29)
InChIKeyKLLNNHLNOYJXFK-UHFFFAOYSA-N
XLogP2.61
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one with MolForge

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Related Compounds

Palbociclib
CID 5330286
Narazaciclib
CID 56649281
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Palbociclib hydrochloride
CID 11431660
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45
CID 5330231
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 46
CID 5330232
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65
CID 5330251
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66
CID 5330252
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 68
CID 5330254
8-cyclohexyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330256
8-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330260

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one?
The IUPAC name of 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one (CID 175582350) is 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one.
What is the SMILES notation for 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one?
The canonical SMILES for 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one is Nc1nc(-c2ccc(N3CCNCC3)cn2)nc(-c2ccc(=O)n(C3CCCC3)c2)c1F.
What is the InChIKey of 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one?
The InChIKey is KLLNNHLNOYJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c24-20-21(15-5-8-19(32)31(14-15)16-3-1-2-4-16)28-23(29-22(20)25)18-7-6-17(13-27-18)30-11-9-26-10-12-30/h5-8,13-14,16,26H,1-4,9-12H2,(H2,25,28,29).
What are the key properties of 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one?
5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one has a molecular weight of 435.51 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-fluoro-2-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-yl]-1-cyclopentylpyridin-2-one is sourced from PubChem (CID 175582350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).