(3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide

C22H28N6O2 — CID 129325198

IUPAC(3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCC[C@H](c4[nH]ncc4C(N)=O)C3)ccc21
InChIInChI=1S/C22H28N6O2/c1-14(2)12-27-9-7-15-10-17(5-6-19(15)27)25-22(30)28-8-3-4-16(13-28)20-18(21(23)29)11-24-26-20/h5-7,9-11,14,16H,3-4,8,12-13H2,1-2H3,(H2,23,29)(H,24,26)(H,25,30)/t16-/m0/s1
InChIKeyXANVDQPYGZOARP-INIZCTEOSA-N
MW408.51 g/mol
LogP3.53
Rot. Bonds5

About (3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide

(3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide (PubChem CID 129325198) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is (3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
PubChem CID129325198
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name(3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCC[C@H](c4[nH]ncc4C(N)=O)C3)ccc21
InChIInChI=1S/C22H28N6O2/c1-14(2)12-27-9-7-15-10-17(5-6-19(15)27)25-22(30)28-8-3-4-16(13-28)20-18(21(23)29)11-24-26-20/h5-7,9-11,14,16H,3-4,8,12-13H2,1-2H3,(H2,23,29)(H,24,26)(H,25,30)/t16-/m0/s1
InChIKeyXANVDQPYGZOARP-INIZCTEOSA-N
XLogP3.53
TPSA109.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
(3R)-N-(4-tert-butylsulfanylphenyl)-3-(4-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 129324030
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 128998957
(3R)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-1-carboxamide
CID 129324013
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681
2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 126767118

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide (CID 129325198) is (3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide is CC(C)Cn1ccc2cc(NC(=O)N3CCC[C@H](c4[nH]ncc4C(N)=O)C3)ccc21.
What is the InChIKey of (3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The InChIKey is XANVDQPYGZOARP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-14(2)12-27-9-7-15-10-17(5-6-19(15)27)25-22(30)28-8-3-4-16(13-28)20-18(21(23)29)11-24-26-20/h5-7,9-11,14,16H,3-4,8,12-13H2,1-2H3,(H2,23,29)(H,24,26)(H,25,30)/t16-/m0/s1.
What are the key properties of (3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
(3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 129325198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).