N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide

C23H23ClN6O — CID 91904801

IUPACN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c2ccccc21
InChIInChI=1S/C23H23ClN6O/c1-29-20-7-3-2-6-18(20)22(28-29)23(31)25-17-5-4-12-30(14-17)21-13-19(26-27-21)15-8-10-16(24)11-9-15/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,25,31)(H,26,27)
InChIKeyIXXMZNFXFGINTB-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.02
Rot. Bonds4

About N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide

N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide (PubChem CID 91904801) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide
PubChem CID91904801
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC NameN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c2ccccc21
InChIInChI=1S/C23H23ClN6O/c1-29-20-7-3-2-6-18(20)22(28-29)23(31)25-17-5-4-12-30(14-17)21-13-19(26-27-21)15-8-10-16(24)11-9-15/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,25,31)(H,26,27)
InChIKeyIXXMZNFXFGINTB-UHFFFAOYSA-N
XLogP4.02
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide
CID 99741101
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide
CID 99740869
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide
CID 99741183
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 99740879
5-bromo-N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]furan-2-carboxamide
CID 91887808
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99740951
2,5-difluoro-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740772
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
CID 99741177
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 99741299
N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide
CID 99741278
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887918

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide (CID 91904801) is N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NC2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c2ccccc21.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide?
The InChIKey is IXXMZNFXFGINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-29-20-7-3-2-6-18(20)22(28-29)23(31)25-17-5-4-12-30(14-17)21-13-19(26-27-21)15-8-10-16(24)11-9-15/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,25,31)(H,26,27).
What are the key properties of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide?
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 91904801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).