[4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone

C24H22ClN7O2 — CID 70901603

IUPAC[4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cc(CNc3nncc(-c4ccccc4Cl)n3)[nH]n2)cc1)N1CCOCC1
InChIInChI=1S/C24H22ClN7O2/c25-20-4-2-1-3-19(20)22-15-27-31-24(28-22)26-14-18-13-21(30-29-18)16-5-7-17(8-6-16)23(33)32-9-11-34-12-10-32/h1-8,13,15H,9-12,14H2,(H,29,30)(H,26,28,31)
InChIKeyWVYXAAXVSLVBOU-UHFFFAOYSA-N
MW475.94 g/mol
LogP3.67
Rot. Bonds6

About [4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone

[4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 70901603) has the molecular formula C24H22ClN7O2 and a molecular weight of 475.94 g/mol. Its IUPAC name is [4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID70901603
Molecular FormulaC24H22ClN7O2
Molecular Weight475.94 g/mol
Exact Mass475.15
IUPAC Name[4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cc(CNc3nncc(-c4ccccc4Cl)n3)[nH]n2)cc1)N1CCOCC1
InChIInChI=1S/C24H22ClN7O2/c25-20-4-2-1-3-19(20)22-15-27-31-24(28-22)26-14-18-13-21(30-29-18)16-5-7-17(8-6-16)23(33)32-9-11-34-12-10-32/h1-8,13,15H,9-12,14H2,(H,29,30)(H,26,28,31)
InChIKeyWVYXAAXVSLVBOU-UHFFFAOYSA-N
XLogP3.67
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[2-(2-chlorophenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42749654
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
[5-chloro-6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133477163
4-(2-chlorophenyl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]pyridin-2-amine
CID 70901842
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 110328575
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659916
[4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone
CID 67203926
2-(2-chloroanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54810418
[4-(6-chloro-7-iodo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-morpholin-4-ylmethanone
CID 25028462
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189

Frequently Asked Questions

What is the IUPAC name of [4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone (CID 70901603) is [4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2cc(CNc3nncc(-c4ccccc4Cl)n3)[nH]n2)cc1)N1CCOCC1.
What is the InChIKey of [4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is WVYXAAXVSLVBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O2/c25-20-4-2-1-3-19(20)22-15-27-31-24(28-22)26-14-18-13-21(30-29-18)16-5-7-17(8-6-16)23(33)32-9-11-34-12-10-32/h1-8,13,15H,9-12,14H2,(H,29,30)(H,26,28,31).
What are the key properties of [4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone?
[4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 475.94 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1H-pyrazol-3-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70901603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).