5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide

C27H24ClN5O2 — CID 130211675

IUPAC5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide
SMILESNc1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(=O)CCC4CC4)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C27H24ClN5O2/c28-21-13-12-18(22-7-4-8-25(29)30-22)15-20(21)27(35)31-26-16-23(24(34)14-11-17-9-10-17)32-33(26)19-5-2-1-3-6-19/h1-8,12-13,15-17H,9-11,14H2,(H2,29,30)(H,31,35)
InChIKeyWHXKVCKXZOGTEG-UHFFFAOYSA-N
MW485.98 g/mol
LogP5.80
Rot. Bonds8

About 5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide

5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 130211675) has the molecular formula C27H24ClN5O2 and a molecular weight of 485.98 g/mol. Its IUPAC name is 5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID130211675
Molecular FormulaC27H24ClN5O2
Molecular Weight485.98 g/mol
Exact Mass485.16
IUPAC Name5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide
SMILESNc1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(=O)CCC4CC4)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C27H24ClN5O2/c28-21-13-12-18(22-7-4-8-25(29)30-22)15-20(21)27(35)31-26-16-23(24(34)14-11-17-9-10-17)32-33(26)19-5-2-1-3-6-19/h1-8,12-13,15-17H,9-11,14H2,(H2,29,30)(H,31,35)
InChIKeyWHXKVCKXZOGTEG-UHFFFAOYSA-N
XLogP5.80
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.98
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456253
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[(1R)-3-oxocyclopentyl]-1-phenylpyrazole-3-carboxamide
CID 162001161
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]-1-phenylpyrazole-3-carboxamide
CID 130200355
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[(3-methyloxetan-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 130211670
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-(2-hydroxy-3-methoxypropyl)-1-phenylpyrazole-3-carboxamide
CID 123815557
5-[[5-(6-amino-2-pyridinyl)-2-chlorobenzoyl]amino]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 130200394
5-(6-amino-3-fluoro-2-pyridinyl)-2-chloro-N-[3-(4-hydroxybutanoyl)-1-phenylpyrazol-5-yl]benzamide
CID 160697076
[6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]-3-chloro-2-pyridinyl]carbamic acid
CID 118456364
5-[[5-(6-amino-3-fluoro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456284
5-[[2-chloro-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid
CID 118456261
5-[[2-chloro-5-[6-(methylamino)-2-pyridinyl]benzoyl]amino]-N-[(1-hydroxycyclobutyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 123911981
ethyl 5-[[5-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzoyl]amino]-1-phenylpyrazole-3-carboxylate
CID 118456303

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide (CID 130211675) is 5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide is Nc1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(=O)CCC4CC4)nn3-c3ccccc3)c2)n1.
What is the InChIKey of 5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is WHXKVCKXZOGTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O2/c28-21-13-12-18(22-7-4-8-25(29)30-22)15-20(21)27(35)31-26-16-23(24(34)14-11-17-9-10-17)32-33(26)19-5-2-1-3-6-19/h1-8,12-13,15-17H,9-11,14H2,(H2,29,30)(H,31,35).
What are the key properties of 5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide?
5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 485.98 g/mol, XLogP of 5.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2-pyridinyl)-2-chloro-N-[3-(3-cyclopropylpropanoyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 130211675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).