N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide

C20H20N8O2 — CID 135979616

IUPACN-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1
InChIInChI=1S/C20H20N8O2/c29-20(22-10-16-2-1-7-30-16)13-3-5-15(6-4-13)27-18-19-23-12-26-28(19)17(11-21-18)14-8-24-25-9-14/h3-6,8-9,11-12,16H,1-2,7,10H2,(H,21,27)(H,22,29)(H,24,25)
InChIKeyHZLPDXPHNYIARB-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.17
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide

N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide (PubChem CID 135979616) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide
PubChem CID135979616
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1
InChIInChI=1S/C20H20N8O2/c29-20(22-10-16-2-1-7-30-16)13-3-5-15(6-4-13)27-18-19-23-12-26-28(19)17(11-21-18)14-8-24-25-9-14/h3-6,8-9,11-12,16H,1-2,7,10H2,(H,21,27)(H,22,29)(H,24,25)
InChIKeyHZLPDXPHNYIARB-UHFFFAOYSA-N
XLogP2.17
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135979645
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 24857007
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 99780202
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide (CID 135979616) is N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide is O=C(NCC1CCCO1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ncnc23)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide?
The InChIKey is HZLPDXPHNYIARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c29-20(22-10-16-2-1-7-30-16)13-3-5-15(6-4-13)27-18-19-23-12-26-28(19)17(11-21-18)14-8-24-25-9-14/h3-6,8-9,11-12,16H,1-2,7,10H2,(H,21,27)(H,22,29)(H,24,25).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide?
N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide has a molecular weight of 404.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzamide is sourced from PubChem (CID 135979616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).