2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one

C15H19N5O3S — CID 134257312

IUPAC2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCN(S(=O)(=O)C4CC4)CC3)nc2[nH]1
InChIInChI=1S/C15H19N5O3S/c21-13-4-1-10-9-16-15(19-14(10)18-13)17-11-5-7-20(8-6-11)24(22,23)12-2-3-12/h1,4,9,11-12H,2-3,5-8H2,(H2,16,17,18,19,21)
InChIKeyJYKNLEUDLSKANM-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.69
Rot. Bonds4

About 2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one

2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 134257312) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID134257312
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCN(S(=O)(=O)C4CC4)CC3)nc2[nH]1
InChIInChI=1S/C15H19N5O3S/c21-13-4-1-10-9-16-15(19-14(10)18-13)17-11-5-7-20(8-6-11)24(22,23)12-2-3-12/h1,4,9,11-12H,2-3,5-8H2,(H2,16,17,18,19,21)
InChIKeyJYKNLEUDLSKANM-UHFFFAOYSA-N
XLogP0.69
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one (CID 134257312) is 2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NC3CCN(S(=O)(=O)C4CC4)CC3)nc2[nH]1.
What is the InChIKey of 2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JYKNLEUDLSKANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c21-13-4-1-10-9-16-15(19-14(10)18-13)17-11-5-7-20(8-6-11)24(22,23)12-2-3-12/h1,4,9,11-12H,2-3,5-8H2,(H2,16,17,18,19,21).
What are the key properties of 2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 349.42 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134257312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).