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

C27H35N5O — CID 157045532

IUPAC1-cyclopropylpyrazole;7-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.c1cnn(C2CC2)c1
InChIInChI=1S/C21H27N3O.C6H8N2/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;1-4-7-8(5-1)6-2-3-6/h4-5,13,15H,6-12H2,1-3H3;1,4-6H,2-3H2
InChIKeyNXZAMRNBDOBYQS-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.52
Rot. Bonds4

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

1-cyclopropylpyrazole;7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine (PubChem CID 157045532) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-cyclopropylpyrazole;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 Name1-cyclopropylpyrazole;7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine
PubChem CID157045532
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC Name1-cyclopropylpyrazole;7-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.c1cnn(C2CC2)c1
InChIInChI=1S/C21H27N3O.C6H8N2/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;1-4-7-8(5-1)6-2-3-6/h4-5,13,15H,6-12H2,1-3H3;1,4-6H,2-3H2
InChIKeyNXZAMRNBDOBYQS-UHFFFAOYSA-N
XLogP5.52
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine
CID 157045533
1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166121190
7-methyl-2-(oxan-4-yl)-4-(3-propan-2-ylcyclobuta-1,2-dien-1-yl)pyrido[2,3-d]pyrimidine
CID 166122803
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
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
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
1-cyclopropylpyrazole;1-(2,4-difluorophenyl)-3-(oxan-4-yl)-7,8-dihydro-6H-purino[7,8-a]pyrrole
CID 168887860
1-(oxan-4-yl)-3-(4-pyrazol-1-ylcyclohexyl)urea
CID 126854298
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-6-methylsulfanyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine;prop-1-ene
CID 177137387
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-6-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine
CID 177137272
4-(4-chloro-2-fluorophenyl)-2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methylpyrido[2,3-d]pyrimidine
CID 166561399
CID 166121814
CID 166121814

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazole;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 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) is 1-cyclopropylpyrazole;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 1-cyclopropylpyrazole;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 1-cyclopropylpyrazole;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.c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropylpyrazole;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 NXZAMRNBDOBYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.C6H8N2/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;1-4-7-8(5-1)6-2-3-6/h4-5,13,15H,6-12H2,1-3H3;1,4-6H,2-3H2.
What are the key properties of 1-cyclopropylpyrazole;7-methyl-2-(oxan-4-yl)-4-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pyrido[2,3-d]pyrimidine?
1-cyclopropylpyrazole;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 445.61 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpyrazole;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 157045532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).