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

C32H42ClN7O2 — CID 127027479

IUPAC4-(3-chlorophenyl)-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(c3cccc(Cl)c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C32H42ClN7O2/c1-23-18-24(19-25-22-34-36-30(23)25)20-29(31(41)39-12-8-27(9-13-39)37-10-3-2-4-11-37)35-32(42)40-16-14-38(15-17-40)28-7-5-6-26(33)21-28/h5-7,18-19,21-22,27,29H,2-4,8-17,20H2,1H3,(H,34,36)(H,35,42)/t29-/m1/s1
InChIKeyLZMJKALQYLMCAR-GDLZYMKVSA-N
MW592.19 g/mol
LogP4.44
Rot. Bonds6

About 4-(3-chlorophenyl)-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-chlorophenyl)-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 127027479) has the molecular formula C32H42ClN7O2 and a molecular weight of 592.19 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-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-chlorophenyl)-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 CID127027479
Molecular FormulaC32H42ClN7O2
Molecular Weight592.19 g/mol
Exact Mass591.31
IUPAC Name4-(3-chlorophenyl)-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(c3cccc(Cl)c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
InChIInChI=1S/C32H42ClN7O2/c1-23-18-24(19-25-22-34-36-30(23)25)20-29(31(41)39-12-8-27(9-13-39)37-10-3-2-4-11-37)35-32(42)40-16-14-38(15-17-40)28-7-5-6-26(33)21-28/h5-7,18-19,21-22,27,29H,2-4,8-17,20H2,1H3,(H,34,36)(H,35,42)/t29-/m1/s1
InChIKeyLZMJKALQYLMCAR-GDLZYMKVSA-N
XLogP4.44
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.19
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-chlorophenyl)-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-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-chlorophenyl)-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 127027479) is 4-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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(c3cccc(Cl)c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12.
What is the InChIKey of 4-(3-chlorophenyl)-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 LZMJKALQYLMCAR-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H42ClN7O2/c1-23-18-24(19-25-22-34-36-30(23)25)20-29(31(41)39-12-8-27(9-13-39)37-10-3-2-4-11-37)35-32(42)40-16-14-38(15-17-40)28-7-5-6-26(33)21-28/h5-7,18-19,21-22,27,29H,2-4,8-17,20H2,1H3,(H,34,36)(H,35,42)/t29-/m1/s1.
What are the key properties of 4-(3-chlorophenyl)-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-chlorophenyl)-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 592.19 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-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 127027479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).