8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one

C18H25FN6O — CID 155572268

IUPAC8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1cc2cnc(NC3CCNCC3F)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C18H25FN6O/c1-20-15-8-11-9-22-18(23-14-6-7-21-10-13(14)19)24-16(11)25(17(15)26)12-4-2-3-5-12/h8-9,12-14,20-21H,2-7,10H2,1H3,(H,22,23,24)
InChIKeyRTIBQAZZOZFRML-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.06
Rot. Bonds4

About 8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 155572268) has the molecular formula C18H25FN6O and a molecular weight of 360.44 g/mol. Its IUPAC name is 8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID155572268
Molecular FormulaC18H25FN6O
Molecular Weight360.44 g/mol
Exact Mass360.21
IUPAC Name8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1cc2cnc(NC3CCNCC3F)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C18H25FN6O/c1-20-15-8-11-9-22-18(23-14-6-7-21-10-13(14)19)24-16(11)25(17(15)26)12-4-2-3-5-12/h8-9,12-14,20-21H,2-7,10H2,1H3,(H,22,23,24)
InChIKeyRTIBQAZZOZFRML-UHFFFAOYSA-N
XLogP2.06
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 155572268) is 8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1cc2cnc(NC3CCNCC3F)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RTIBQAZZOZFRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN6O/c1-20-15-8-11-9-22-18(23-14-6-7-21-10-13(14)19)24-16(11)25(17(15)26)12-4-2-3-5-12/h8-9,12-14,20-21H,2-7,10H2,1H3,(H,22,23,24).
What are the key properties of 8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 360.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[(3-fluoropiperidin-4-yl)amino]-6-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155572268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).