2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C19H21F2N5O2 — CID 67246185

IUPAC2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1(F)NC=C(c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)C=C1F
InChIInChI=1S/C19H21F2N5O2/c1-10-13-8-14(11-7-15(20)19(21,28-2)23-9-11)17(27)26(12-5-3-4-6-12)16(13)25-18(22)24-10/h7-9,12,23H,3-6H2,1-2H3,(H2,22,24,25)
InChIKeyMFOOUBYEJPITGY-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.86
Rot. Bonds3

About 2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 67246185) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID67246185
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1(F)NC=C(c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)C=C1F
InChIInChI=1S/C19H21F2N5O2/c1-10-13-8-14(11-7-15(20)19(21,28-2)23-9-11)17(27)26(12-5-3-4-6-12)16(13)25-18(22)24-10/h7-9,12,23H,3-6H2,1-2H3,(H2,22,24,25)
InChIKeyMFOOUBYEJPITGY-UHFFFAOYSA-N
XLogP2.86
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 67246185) is 2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COC1(F)NC=C(c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)C=C1F.
What is the InChIKey of 2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MFOOUBYEJPITGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-10-13-8-14(11-7-15(20)19(21,28-2)23-9-11)17(27)26(12-5-3-4-6-12)16(13)25-18(22)24-10/h7-9,12,23H,3-6H2,1-2H3,(H2,22,24,25).
What are the key properties of 2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 389.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67246185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).