[3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone

C19H18N8O — CID 135979644

IUPAC[3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)c1)N1CCCC1
InChIInChI=1S/C19H18N8O/c28-19(26-6-1-2-7-26)13-4-3-5-15(8-13)25-17-18-21-12-24-27(18)16(11-20-17)14-9-22-23-10-14/h3-5,8-12H,1-2,6-7H2,(H,20,25)(H,22,23)
InChIKeySSPDVDXYRRZJBK-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.49
Rot. Bonds4

About [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone

[3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 135979644) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID135979644
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name[3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)c1)N1CCCC1
InChIInChI=1S/C19H18N8O/c28-19(26-6-1-2-7-26)13-4-3-5-15(8-13)25-17-18-21-12-24-27(18)16(11-20-17)14-9-22-23-10-14/h3-5,8-12H,1-2,6-7H2,(H,20,25)(H,22,23)
InChIKeySSPDVDXYRRZJBK-UHFFFAOYSA-N
XLogP2.49
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide
CID 135979647
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135900400
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
[3-[(6-phenylpyrimidin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50783560
[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
(4-methylsulfonyl-1,4-diazepan-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74238732
methyl 3-[[5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109249344
pyrrolidin-1-yl-[3-(2H-tetrazol-5-ylamino)phenyl]methanone
CID 155954252
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
3-[[5-methyl-4-(piperidine-1-carbonyl)isoquinolin-1-yl]amino]benzoic acid
CID 71186178
(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 110486725
2-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
CID 86864818

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone (CID 135979644) is [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)c1)N1CCCC1.
What is the InChIKey of [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SSPDVDXYRRZJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c28-19(26-6-1-2-7-26)13-4-3-5-15(8-13)25-17-18-21-12-24-27(18)16(11-20-17)14-9-22-23-10-14/h3-5,8-12H,1-2,6-7H2,(H,20,25)(H,22,23).
What are the key properties of [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone?
[3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 374.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135979644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).