N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide

C23H22ClN5O — CID 75528192

IUPACN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H22ClN5O/c24-17-7-5-15(6-8-17)20-14-22(28-27-20)29-11-9-18(10-12-29)25-23(30)21-13-16-3-1-2-4-19(16)26-21/h1-8,13-14,18,26H,9-12H2,(H,25,30)(H,27,28)
InChIKeyJQWHOSLNCHKZSB-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.61
Rot. Bonds4

About N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide

N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 75528192) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID75528192
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC NameN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H22ClN5O/c24-17-7-5-15(6-8-17)20-14-22(28-27-20)29-11-9-18(10-12-29)25-23(30)21-13-16-3-1-2-4-19(16)26-21/h1-8,13-14,18,26H,9-12H2,(H,25,30)(H,27,28)
InChIKeyJQWHOSLNCHKZSB-UHFFFAOYSA-N
XLogP4.61
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide
CID 99740977
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 91631398
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
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
N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 91818427
4-bromo-N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99744827
3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528488
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-fluoro-4-methylbenzamide
CID 99741527
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528307
3-chloro-4-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528340

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide (CID 75528192) is N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide is O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is JQWHOSLNCHKZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c24-17-7-5-15(6-8-17)20-14-22(28-27-20)29-11-9-18(10-12-29)25-23(30)21-13-16-3-1-2-4-19(16)26-21/h1-8,13-14,18,26H,9-12H2,(H,25,30)(H,27,28).
What are the key properties of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide?
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 419.92 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 75528192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).