N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide

C22H23N9O2 — CID 135979647

IUPACN-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(Nc3ncc(-c4cn[nH]c4)n4ncnc34)cc2)CC1
InChIInChI=1S/C22H23N9O2/c1-23-21(32)14-6-8-30(9-7-14)22(33)15-2-4-17(5-3-15)29-19-20-25-13-28-31(20)18(12-24-19)16-10-26-27-11-16/h2-5,10-14H,6-9H2,1H3,(H,23,32)(H,24,29)(H,26,27)
InChIKeyFGJJUTFVNJSGHQ-UHFFFAOYSA-N
MW445.49 g/mol
LogP1.86
Rot. Bonds5

About N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide

N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide (PubChem CID 135979647) has the molecular formula C22H23N9O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide
PubChem CID135979647
Molecular FormulaC22H23N9O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC NameN-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(Nc3ncc(-c4cn[nH]c4)n4ncnc34)cc2)CC1
InChIInChI=1S/C22H23N9O2/c1-23-21(32)14-6-8-30(9-7-14)22(33)15-2-4-17(5-3-15)29-19-20-25-13-28-31(20)18(12-24-19)16-10-26-27-11-16/h2-5,10-14H,6-9H2,1H3,(H,23,32)(H,24,29)(H,26,27)
InChIKeyFGJJUTFVNJSGHQ-UHFFFAOYSA-N
XLogP1.86
TPSA133.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide with MolForge

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Related Compounds

[3-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 135979644
N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 135900472
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
5-(1H-pyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 141190484
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
CID 43064091
N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973011
4-[8-[(6-piperazin-1-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]benzamide
CID 143585647
thiomorpholin-4-yl-[4-([1,2,4]triazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 144591518
5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-2H-isoindol-1-ol
CID 136655331
1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 134802123
[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
CID 166278548

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 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) is N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2ccc(Nc3ncc(-c4cn[nH]c4)n4ncnc34)cc2)CC1.
What is the InChIKey of N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide?
The InChIKey is FGJJUTFVNJSGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O2/c1-23-21(32)14-6-8-30(9-7-14)22(33)15-2-4-17(5-3-15)29-19-20-25-13-28-31(20)18(12-24-19)16-10-26-27-11-16/h2-5,10-14H,6-9H2,1H3,(H,23,32)(H,24,29)(H,26,27).
What are the key properties of N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide?
N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[[5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 135979647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).