3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one

C22H15FN4O — CID 121275710

IUPAC3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2ncccc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1F
InChIInChI=1S/C22H15FN4O/c23-18-10-14(17-9-15-3-1-4-19(15)25-11-17)6-7-16(18)12-27-13-26-20-5-2-8-24-21(20)22(27)28/h1-3,5-11,13H,4,12H2
InChIKeyISEANRPWVCHOGT-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.61
Rot. Bonds3

About 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one

3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 121275710) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID121275710
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2ncccc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1F
InChIInChI=1S/C22H15FN4O/c23-18-10-14(17-9-15-3-1-4-19(15)25-11-17)6-7-16(18)12-27-13-26-20-5-2-8-24-21(20)22(27)28/h1-3,5-11,13H,4,12H2
InChIKeyISEANRPWVCHOGT-UHFFFAOYSA-N
XLogP3.61
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one (CID 121275710) is 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one is O=c1c2ncccc2ncn1Cc1ccc(-c2cnc3c(c2)C=CC3)cc1F.
What is the InChIKey of 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ISEANRPWVCHOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O/c23-18-10-14(17-9-15-3-1-4-19(15)25-11-17)6-7-16(18)12-27-13-26-20-5-2-8-24-21(20)22(27)28/h1-3,5-11,13H,4,12H2.
What are the key properties of 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 370.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(7H-cyclopenta[b]pyridin-3-yl)-2-fluorophenyl]methyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 121275710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).