8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C25H26N6O — CID 18374915

IUPAC8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC1C2CCC(C2)C1Cn1c(=O)ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc21
InChIInChI=1S/C25H26N6O/c1-16-17-3-4-18(13-17)22(16)15-30-23(32)10-5-19-14-26-25(29-24(19)30)28-20-6-8-21(9-7-20)31-12-2-11-27-31/h2,5-12,14,16-18,22H,3-4,13,15H2,1H3,(H,26,28,29)
InChIKeyARJNLPGBIJSWRB-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.40
Rot. Bonds5

About 8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374915) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18374915
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC1C2CCC(C2)C1Cn1c(=O)ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc21
InChIInChI=1S/C25H26N6O/c1-16-17-3-4-18(13-17)22(16)15-30-23(32)10-5-19-14-26-25(29-24(19)30)28-20-6-8-21(9-7-20)31-12-2-11-27-31/h2,5-12,14,16-18,22H,3-4,13,15H2,1H3,(H,26,28,29)
InChIKeyARJNLPGBIJSWRB-UHFFFAOYSA-N
XLogP4.40
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 18374915) is 8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CC1C2CCC(C2)C1Cn1c(=O)ccc2cnc(Nc3ccc(-n4cccn4)cc3)nc21.
What is the InChIKey of 8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ARJNLPGBIJSWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-16-17-3-4-18(13-17)22(16)15-30-23(32)10-5-19-14-26-25(29-24(19)30)28-20-6-8-21(9-7-20)31-12-2-11-27-31/h2,5-12,14,16-18,22H,3-4,13,15H2,1H3,(H,26,28,29).
What are the key properties of 8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 426.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).