7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine

C21H27N3O — CID 157045533

IUPAC7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine
SMILESCc1ccc2c(C34CC(C(C)C)(C3)C4)nc(C3CCOCC3)nc2n1
InChIInChI=1S/C21H27N3O/c1-13(2)20-10-21(11-20,12-20)17-16-5-4-14(3)22-19(16)24-18(23-17)15-6-8-25-9-7-15/h4-5,13,15H,6-12H2,1-3H3
InChIKeyXYCGOVNPSVRMFY-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.30
Rot. Bonds3

About 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine

7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine (PubChem CID 157045533) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine
PubChem CID157045533
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine
SMILESCc1ccc2c(C34CC(C(C)C)(C3)C4)nc(C3CCOCC3)nc2n1
InChIInChI=1S/C21H27N3O/c1-13(2)20-10-21(11-20,12-20)17-16-5-4-14(3)22-19(16)24-18(23-17)15-6-8-25-9-7-15/h4-5,13,15H,6-12H2,1-3H3
InChIKeyXYCGOVNPSVRMFY-UHFFFAOYSA-N
XLogP4.30
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine with MolForge

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Related Compounds

1-cyclopropylpyrazole;7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine
CID 157045532
7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine
CID 166122803
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473
4-(4-cyclobutyl-7-methylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 157044442
4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
CID 116893458
5-methyl-2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81136991
7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine
CID 115039692
2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine
CID 157044785
4-[5-[(1S)-1-hydroxyethyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]benzoic acid
CID 86286044
2-[(2S,4S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine
CID 157045021
2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine
CID 157045295
6-methyl-2-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128942

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine?
The IUPAC name of 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine (CID 157045533) is 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine?
The canonical SMILES for 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine is Cc1ccc2c(C34CC(C(C)C)(C3)C4)nc(C3CCOCC3)nc2n1.
What is the InChIKey of 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine?
The InChIKey is XYCGOVNPSVRMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-13(2)20-10-21(11-20,12-20)17-16-5-4-14(3)22-19(16)24-18(23-17)15-6-8-25-9-7-15/h4-5,13,15H,6-12H2,1-3H3.
What are the key properties of 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine?
7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine has a molecular weight of 337.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 157045533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).