N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide

C22H21N5O — CID 99741208

IUPACN-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C22H21N5O/c28-22(17-7-6-16-8-10-23-19(16)12-17)24-18-9-11-27(14-18)21-13-20(25-26-21)15-4-2-1-3-5-15/h1-8,10,12-13,18,23H,9,11,14H2,(H,24,28)(H,25,26)/t18-/m0/s1
InChIKeyAUTNXWIRHGKTGM-SFHVURJKSA-N
MW371.44 g/mol
LogP3.57
Rot. Bonds4

About N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide

N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide (PubChem CID 99741208) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
PubChem CID99741208
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C22H21N5O/c28-22(17-7-6-16-8-10-23-19(16)12-17)24-18-9-11-27(14-18)21-13-20(25-26-21)15-4-2-1-3-5-15/h1-8,10,12-13,18,23H,9,11,14H2,(H,24,28)(H,25,26)/t18-/m0/s1
InChIKeyAUTNXWIRHGKTGM-SFHVURJKSA-N
XLogP3.57
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-1H-indole-5-carboxamide
CID 91887791
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 91914574
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
3-fluoro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741564
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 99756595
3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851
3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528488
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
CID 91914548
5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 99741238
3-chloro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741552

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide (CID 99741208) is N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide is O=C(N[C@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide?
The InChIKey is AUTNXWIRHGKTGM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(17-7-6-16-8-10-23-19(16)12-17)24-18-9-11-27(14-18)21-13-20(25-26-21)15-4-2-1-3-5-15/h1-8,10,12-13,18,23H,9,11,14H2,(H,24,28)(H,25,26)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide?
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 99741208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).