4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide

C34H41F6N7O2 — CID 127027501

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
SMILESCc1cc(C[C@@H](NC(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C34H41F6N7O2/c1-22-15-23(16-24-21-41-43-30(22)24)17-29(31(48)46-9-5-27(6-10-46)44-7-3-2-4-8-44)42-32(49)47-13-11-45(12-14-47)28-19-25(33(35,36)37)18-26(20-28)34(38,39)40/h15-16,18-21,27,29H,2-14,17H2,1H3,(H,41,43)(H,42,49)/t29-/m1/s1
InChIKeyJUGMJOLTIQPRJM-GDLZYMKVSA-N
MW693.74 g/mol
LogP5.83
Rot. Bonds6

About 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide

4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide (PubChem CID 127027501) has the molecular formula C34H41F6N7O2 and a molecular weight of 693.74 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
PubChem CID127027501
Molecular FormulaC34H41F6N7O2
Molecular Weight693.74 g/mol
Exact Mass693.32
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
SMILESCc1cc(C[C@@H](NC(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C34H41F6N7O2/c1-22-15-23(16-24-21-41-43-30(22)24)17-29(31(48)46-9-5-27(6-10-46)44-7-3-2-4-8-44)42-32(49)47-13-11-45(12-14-47)28-19-25(33(35,36)37)18-26(20-28)34(38,39)40/h15-16,18-21,27,29H,2-14,17H2,1H3,(H,41,43)(H,42,49)/t29-/m1/s1
InChIKeyJUGMJOLTIQPRJM-GDLZYMKVSA-N
XLogP5.83
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.74
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-fluoro-4-methylsulfonylphenyl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
CID 127028121
N-[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 10077700
tert-butyl N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 175525691
N-[1-[4-(4-fluorocyclohexyl)piperazin-1-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 58984821
N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 175525696
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl]-4-(7-oxo-2,3,4,8-tetrahydrothiopyrano[2,3-b]pyridin-6-yl)piperidine-1-carboxamide
CID 172562788
N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl]-4-(6-oxo-3,7-dihydro-2H-thieno[2,3-b]pyridin-5-yl)piperidine-1-carboxamide
CID 172562800
4-(2,2-dioxo-1,4-dihydro-2λ6,1,3-benzothiadiazin-3-yl)-N-[3-(7-ethyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 58900863
3-(7-methyl-1H-indazol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 91382816
4-(2-hydroxy-1,2-dihydroquinolin-3-yl)-N-[3-(7-methyl-1H-indazol-5-yl)-1-[4-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]piperidin-1-yl]-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 142441125
2-amino-1-(4-piperidin-1-ylpiperidin-1-yl)-3-(7-propan-2-yl-1H-indazol-5-yl)propan-1-one
CID 69104765
N-[3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(8-piperidin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)propan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 135347359

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide (CID 127027501) is 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide is Cc1cc(C[C@@H](NC(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is JUGMJOLTIQPRJM-GDLZYMKVSA-N. The full InChI is InChI=1S/C34H41F6N7O2/c1-22-15-23(16-24-21-41-43-30(22)24)17-29(31(48)46-9-5-27(6-10-46)44-7-3-2-4-8-44)42-32(49)47-13-11-45(12-14-47)28-19-25(33(35,36)37)18-26(20-28)34(38,39)40/h15-16,18-21,27,29H,2-14,17H2,1H3,(H,41,43)(H,42,49)/t29-/m1/s1.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide?
4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 693.74 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 127027501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).