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

C20H25N5 — CID 24917392

IUPAC2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1nc(CN2CCc3nc(C(C)(C)C)ncc3C2)c2ccccc21
InChIInChI=1S/C20H25N5/c1-20(2,3)19-21-11-14-12-25(10-9-16(14)22-19)13-17-15-7-5-6-8-18(15)24(4)23-17/h5-8,11H,9-10,12-13H2,1-4H3
InChIKeyCGFBDFBSVZYDCF-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.22
Rot. Bonds2

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

2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917392) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24917392
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1nc(CN2CCc3nc(C(C)(C)C)ncc3C2)c2ccccc21
InChIInChI=1S/C20H25N5/c1-20(2,3)19-21-11-14-12-25(10-9-16(14)22-19)13-17-15-7-5-6-8-18(15)24(4)23-17/h5-8,11H,9-10,12-13H2,1-4H3
InChIKeyCGFBDFBSVZYDCF-UHFFFAOYSA-N
XLogP3.22
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909749
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
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-ethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913109
2-tert-butyl-6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913802
2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930615
2-tert-butyl-6-[(3-chloro-4-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915251
2-tert-butyl-6-[(4-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913718
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-[(5-methyl-1H-pyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910169
2-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930080
2-tert-butyl-6-[(2,6,6-trimethylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909623

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917392) is 2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cn1nc(CN2CCc3nc(C(C)(C)C)ncc3C2)c2ccccc21.
What is the InChIKey of 2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CGFBDFBSVZYDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-20(2,3)19-21-11-14-12-25(10-9-16(14)22-19)13-17-15-7-5-6-8-18(15)24(4)23-17/h5-8,11H,9-10,12-13H2,1-4H3.
What are the key properties of 2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-tert-butyl-6-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 335.46 g/mol, XLogP of 3.22, 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-[(1-methylindazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).