6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H25N5O — CID 24913570

IUPAC6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1c(CN2CCc3nc(C(C)C)ncc3C2)c(C)nn1C
InChIInChI=1S/C17H25N5O/c1-11(2)16-18-8-13-9-22(7-6-15(13)19-16)10-14-12(3)20-21(4)17(14)23-5/h8,11H,6-7,9-10H2,1-5H3
InChIKeyZXBAXOQUXCFFQB-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.21
Rot. Bonds4

About 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913570) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24913570
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1c(CN2CCc3nc(C(C)C)ncc3C2)c(C)nn1C
InChIInChI=1S/C17H25N5O/c1-11(2)16-18-8-13-9-22(7-6-15(13)19-16)10-14-12(3)20-21(4)17(14)23-5/h8,11H,6-7,9-10H2,1-5H3
InChIKeyZXBAXOQUXCFFQB-UHFFFAOYSA-N
XLogP2.21
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913578
6-[(2,6-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928987
6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928903
6-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928819
6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928924
5-methyl-4-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,3-diol
CID 24928567
6-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910273
6-[(2,4-dimethoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928651
6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909790
4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 24930908
6-[(2,3-dichlorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928210
6-[[6-(4-methoxyphenyl)-2-pyridinyl]methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915460

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913570) is 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1c(CN2CCc3nc(C(C)C)ncc3C2)c(C)nn1C.
What is the InChIKey of 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZXBAXOQUXCFFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)16-18-8-13-9-22(7-6-15(13)19-16)10-14-12(3)20-21(4)17(14)23-5/h8,11H,6-7,9-10H2,1-5H3.
What are the key properties of 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 315.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).