2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C26H29N5O — CID 24911597

IUPAC2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCc3nc(C(C)(C)C)ncc3C2)o1
InChIInChI=1S/C26H29N5O/c1-18-10-11-23(32-18)24-20(17-31(29-24)21-8-6-5-7-9-21)16-30-13-12-22-19(15-30)14-27-25(28-22)26(2,3)4/h5-11,14,17H,12-13,15-16H2,1-4H3
InChIKeyXPHRHZHIJCEJRK-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.09
Rot. Bonds4

About 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911597) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911597
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCc3nc(C(C)(C)C)ncc3C2)o1
InChIInChI=1S/C26H29N5O/c1-18-10-11-23(32-18)24-20(17-31(29-24)21-8-6-5-7-9-21)16-30-13-12-22-19(15-30)14-27-25(28-22)26(2,3)4/h5-11,14,17H,12-13,15-16H2,1-4H3
InChIKeyXPHRHZHIJCEJRK-UHFFFAOYSA-N
XLogP5.09
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-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-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911611
6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911600
6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912774
2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943151
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
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-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928610
2-tert-butyl-6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912563
2-tert-butyl-6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913802
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-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913718
2-tert-butyl-6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909749

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911597) is 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCc3nc(C(C)(C)C)ncc3C2)o1.
What is the InChIKey of 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XPHRHZHIJCEJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-18-10-11-23(32-18)24-20(17-31(29-24)21-8-6-5-7-9-21)16-30-13-12-22-19(15-30)14-27-25(28-22)26(2,3)4/h5-11,14,17H,12-13,15-16H2,1-4H3.
What are the key properties of 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 427.55 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).