2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one

C20H20N4O — CID 5330234

IUPAC2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C1CC2CCC1C2
InChIInChI=1S/C20H20N4O/c25-18-9-8-15-12-21-20(22-16-4-2-1-3-5-16)23-19(15)24(18)17-11-13-6-7-14(17)10-13/h1-5,8-9,12-14,17H,6-7,10-11H2,(H,21,22,23)
InChIKeyQAWADIWIAIIMDV-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.90
Rot. Bonds3

About 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330234) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330234
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C1CC2CCC1C2
InChIInChI=1S/C20H20N4O/c25-18-9-8-15-12-21-20(22-16-4-2-1-3-5-16)23-19(15)24(18)17-11-13-6-7-14(17)10-13/h1-5,8-9,12-14,17H,6-7,10-11H2,(H,21,22,23)
InChIKeyQAWADIWIAIIMDV-UHFFFAOYSA-N
XLogP3.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

PD-0183812
CID 5330258
Narazaciclib
CID 56649281
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
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. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
8-butyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330228
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43
CID 5330229
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45
CID 5330231

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one (CID 5330234) is 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CC2CCC1C2.
What is the InChIKey of 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QAWADIWIAIIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-18-9-8-15-12-21-20(22-16-4-2-1-3-5-16)23-19(15)24(18)17-11-13-6-7-14(17)10-13/h1-5,8-9,12-14,17H,6-7,10-11H2,(H,21,22,23).
What are the key properties of 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 332.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(2-bicyclo[2.2.1]heptanyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).