2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H25N5 — CID 24912563

IUPAC2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(CN2CCc3nc(C(C)(C)C)ncc3C2)n(C)n1
InChIInChI=1S/C17H25N5/c1-12-8-14(21(5)20-12)11-22-7-6-15-13(10-22)9-18-16(19-15)17(2,3)4/h8-9H,6-7,10-11H2,1-5H3
InChIKeyPXTIZTQEBKTDEO-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.37
Rot. Bonds2

About 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912563) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912563
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1cc(CN2CCc3nc(C(C)(C)C)ncc3C2)n(C)n1
InChIInChI=1S/C17H25N5/c1-12-8-14(21(5)20-12)11-22-7-6-15-13(10-22)9-18-16(19-15)17(2,3)4/h8-9H,6-7,10-11H2,1-5H3
InChIKeyPXTIZTQEBKTDEO-UHFFFAOYSA-N
XLogP2.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912561
6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24912567
2-tert-butyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910169
2-tert-butyl-6-[(2-ethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913109
2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917392
2-tert-butyl-6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909749
5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine
CID 24912878
2-tert-butyl-6-[(2,6,6-trimethylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909623
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
2-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930080
4-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 24908492
2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930615

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912563) is 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1cc(CN2CCc3nc(C(C)(C)C)ncc3C2)n(C)n1.
What is the InChIKey of 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PXTIZTQEBKTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-12-8-14(21(5)20-12)11-22-7-6-15-13(10-22)9-18-16(19-15)17(2,3)4/h8-9H,6-7,10-11H2,1-5H3.
What are the key properties of 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 299.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).