3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine

C19H18N10O — CID 160579566

IUPAC3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-n2nnc3cnc(Cc4cnn(CCn5cccn5)c4)nc32)nc1
InChIInChI=1S/C19H18N10O/c1-30-15-3-4-18(21-11-15)29-19-16(25-26-29)12-20-17(24-19)9-14-10-23-28(13-14)8-7-27-6-2-5-22-27/h2-6,10-13H,7-9H2,1H3
InChIKeyRBPDEQMVWQASMC-UHFFFAOYSA-N
MW402.42 g/mol
LogP1.30
Rot. Bonds7

About 3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine

3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine (PubChem CID 160579566) has the molecular formula C19H18N10O and a molecular weight of 402.42 g/mol. Its IUPAC name is 3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine
PubChem CID160579566
Molecular FormulaC19H18N10O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC Name3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-n2nnc3cnc(Cc4cnn(CCn5cccn5)c4)nc32)nc1
InChIInChI=1S/C19H18N10O/c1-30-15-3-4-18(21-11-15)29-19-16(25-26-29)12-20-17(24-19)9-14-10-23-28(13-14)8-7-27-6-2-5-22-27/h2-6,10-13H,7-9H2,1H3
InChIKeyRBPDEQMVWQASMC-UHFFFAOYSA-N
XLogP1.30
TPSA114.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

3-(4-ethoxyphenyl)-5-[[1-(3-methylbutyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine
CID 161476016
3-(4-ethoxyphenyl)-5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine
CID 152943522
4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine
CID 158742604
5-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]methyl]-1H-imidazole-4-carbonitrile
CID 158557421
3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90390356
4-N-[3-[4-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]phenyl]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine
CID 90389949
3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine
CID 152833129
3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 71667332
cis-(1R,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 159578665
3-(4-ethoxyphenyl)-N-[1-(3-methoxypropyl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 71668072
4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394128
3-(5-iodo-2-pyridinyl)-5-methyltriazolo[4,5-d]pyrimidine
CID 144695383

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine?
The IUPAC name of 3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine (CID 160579566) is 3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine is COc1ccc(-n2nnc3cnc(Cc4cnn(CCn5cccn5)c4)nc32)nc1.
What is the InChIKey of 3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine?
The InChIKey is RBPDEQMVWQASMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N10O/c1-30-15-3-4-18(21-11-15)29-19-16(25-26-29)12-20-17(24-19)9-14-10-23-28(13-14)8-7-27-6-2-5-22-27/h2-6,10-13H,7-9H2,1H3.
What are the key properties of 3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine?
3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine has a molecular weight of 402.42 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-pyridinyl)-5-[[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 160579566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).