9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine

C22H19N7O — CID 168921523

IUPAC9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine
SMILESCCn1cnc2c(-c3cccnc3)nc(-n3cc(-c4ccccc4)c(OC)n3)nc21
InChIInChI=1S/C22H19N7O/c1-3-28-14-24-19-18(16-10-7-11-23-12-16)25-22(26-20(19)28)29-13-17(21(27-29)30-2)15-8-5-4-6-9-15/h4-14H,3H2,1-2H3
InChIKeyYJSUGENRNMJNLN-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.77
Rot. Bonds5

About 9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine

9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine (PubChem CID 168921523) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine.

Molecular Properties

Compound Name9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine
PubChem CID168921523
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine
SMILESCCn1cnc2c(-c3cccnc3)nc(-n3cc(-c4ccccc4)c(OC)n3)nc21
InChIInChI=1S/C22H19N7O/c1-3-28-14-24-19-18(16-10-7-11-23-12-16)25-22(26-20(19)28)29-13-17(21(27-29)30-2)15-8-5-4-6-9-15/h4-14H,3H2,1-2H3
InChIKeyYJSUGENRNMJNLN-UHFFFAOYSA-N
XLogP3.77
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 90217848
CID 90217848
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
7-ethyl-4-(2-phenoxy-4-pyridinyl)imidazo[4,5-c]pyridazine
CID 155562113
5-(3-ethyl-4-oxo-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-6-yl)pyridine-2-carboxylic acid
CID 170220230
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-2-methoxy-1,8-naphthyridine
CID 169156271
(2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol
CID 25053272
1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazol-4-amine
CID 83216257
3-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352949
[3-(7-ethylimidazo[4,5-c]pyridazin-4-yl)phenyl]boronic acid
CID 90217850
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine?
The IUPAC name of 9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine (CID 168921523) is 9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine.
What is the SMILES notation for 9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine?
The canonical SMILES for 9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine is CCn1cnc2c(-c3cccnc3)nc(-n3cc(-c4ccccc4)c(OC)n3)nc21.
What is the InChIKey of 9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine?
The InChIKey is YJSUGENRNMJNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-3-28-14-24-19-18(16-10-7-11-23-12-16)25-22(26-20(19)28)29-13-17(21(27-29)30-2)15-8-5-4-6-9-15/h4-14H,3H2,1-2H3.
What are the key properties of 9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine?
9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine has a molecular weight of 397.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-(3-methoxy-4-phenylpyrazol-1-yl)-6-pyridin-3-ylpurine is sourced from PubChem (CID 168921523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).