(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C24H33N5O3 — CID 110197287

IUPAC(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C24H33N5O3/c30-18-14-21(23(31)25-16-6-2-1-3-7-16)29(15-18)17-10-12-28(13-11-17)24(32)22-19-8-4-5-9-20(19)26-27-22/h4-5,8-9,16-18,21,30H,1-3,6-7,10-15H2,(H,25,31)(H,26,27)/t18-,21+/m1/s1
InChIKeyNBNABRUCTZHKBZ-NQIIRXRSSA-N
MW439.56 g/mol
LogP2.05
Rot. Bonds4

About (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 110197287) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID110197287
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C24H33N5O3/c30-18-14-21(23(31)25-16-6-2-1-3-7-16)29(15-18)17-10-12-28(13-11-17)24(32)22-19-8-4-5-9-20(19)26-27-22/h4-5,8-9,16-18,21,30H,1-3,6-7,10-15H2,(H,25,31)(H,26,27)/t18-,21+/m1/s1
InChIKeyNBNABRUCTZHKBZ-NQIIRXRSSA-N
XLogP2.05
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[2-[3-[[4-(1H-indazol-3-yl)benzoyl]amino]propylamino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
CID 56658173
1H-indazol-3-yl(morpholin-4-yl)methanone
CID 1505879
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
1H-Indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 10062433
[4-({[(5-ethyl-1H-indazol-3-yl)carbonyl]amino}methyl)piperidin-1-yl]acetic acid
CID 71714670
N-{[1-(2-methoxyethyl)pipendin-4-yl]methyl}-5-phenyl-1H-indazole-3-carboxamide
CID 89777945
1-Desmethyl granisetron
CID 11243474
Indisetron
CID 178039
(4R)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 44305864
N-[(1R,5S)-8-(2-hydroxy-3-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 70682173
N-[(1R,5S)-8-[2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 70688534
N-[4-(piperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
CID 127026647

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 110197287) is (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is O=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is NBNABRUCTZHKBZ-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H33N5O3/c30-18-14-21(23(31)25-16-6-2-1-3-7-16)29(15-18)17-10-12-28(13-11-17)24(32)22-19-8-4-5-9-20(19)26-27-22/h4-5,8-9,16-18,21,30H,1-3,6-7,10-15H2,(H,25,31)(H,26,27)/t18-,21+/m1/s1.
What are the key properties of (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110197287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).