4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol

C17H18N6O — CID 135942093

IUPAC4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol
SMILESNc1ncc2c(n1)CCN(Cc1cn[nH]c1-c1ccc(O)cc1)C2
InChIInChI=1S/C17H18N6O/c18-17-19-7-12-9-23(6-5-15(12)21-17)10-13-8-20-22-16(13)11-1-3-14(24)4-2-11/h1-4,7-8,24H,5-6,9-10H2,(H,20,22)(H2,18,19,21)
InChIKeySHRVUPXYQINPBA-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.71
Rot. Bonds3

About 4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol

4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol (PubChem CID 135942093) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol
PubChem CID135942093
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol
SMILESNc1ncc2c(n1)CCN(Cc1cn[nH]c1-c1ccc(O)cc1)C2
InChIInChI=1S/C17H18N6O/c18-17-19-7-12-9-23(6-5-15(12)21-17)10-13-8-20-22-16(13)11-1-3-14(24)4-2-11/h1-4,7-8,24H,5-6,9-10H2,(H,20,22)(H2,18,19,21)
InChIKeySHRVUPXYQINPBA-UHFFFAOYSA-N
XLogP1.71
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[5-(3,5-difluorophenyl)-1H-pyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24916074
6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911314
2-cyclohexyl-6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911297
3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-chlorophenol
CID 24929118
6-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911873
6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911308
6-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911888
6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913428
6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24929895
6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24911370
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24909333
6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24915087

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol (CID 135942093) is 4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol is Nc1ncc2c(n1)CCN(Cc1cn[nH]c1-c1ccc(O)cc1)C2.
What is the InChIKey of 4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol?
The InChIKey is SHRVUPXYQINPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-17-19-7-12-9-23(6-5-15(12)21-17)10-13-8-20-22-16(13)11-1-3-14(24)4-2-11/h1-4,7-8,24H,5-6,9-10H2,(H,20,22)(H2,18,19,21).
What are the key properties of 4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol?
4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol has a molecular weight of 322.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135942093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).