N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide

C32H39FN6O3 — CID 67535739

IUPACN-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(NC(=O)c4ccn[nH]4)cc3)C2)c(C)c2cccc(F)c21
InChIInChI=1S/C32H39FN6O3/c1-21-26-7-3-8-27(33)31(26)39(16-5-17-42-2)30(21)23-6-4-15-38(20-23)29(40)19-24(34)18-22-9-11-25(12-10-22)36-32(41)28-13-14-35-37-28/h3,7-14,23-24H,4-6,15-20,34H2,1-2H3,(H,35,37)(H,36,41)/t23?,24-/m1/s1
InChIKeyPZQDYHSQBANBLQ-XMMISQBUSA-N
MW574.70 g/mol
LogP4.77
Rot. Bonds11

About N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide

N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 67535739) has the molecular formula C32H39FN6O3 and a molecular weight of 574.70 g/mol. Its IUPAC name is N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID67535739
Molecular FormulaC32H39FN6O3
Molecular Weight574.70 g/mol
Exact Mass574.31
IUPAC NameN-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(NC(=O)c4ccn[nH]4)cc3)C2)c(C)c2cccc(F)c21
InChIInChI=1S/C32H39FN6O3/c1-21-26-7-3-8-27(33)31(26)39(16-5-17-42-2)30(21)23-6-4-15-38(20-23)29(40)19-24(34)18-22-9-11-25(12-10-22)36-32(41)28-13-14-35-37-28/h3,7-14,23-24H,4-6,15-20,34H2,1-2H3,(H,35,37)(H,36,41)/t23?,24-/m1/s1
InChIKeyPZQDYHSQBANBLQ-XMMISQBUSA-N
XLogP4.77
TPSA118.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.70
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide (CID 67535739) is N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide is COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(NC(=O)c4ccn[nH]4)cc3)C2)c(C)c2cccc(F)c21.
What is the InChIKey of N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is PZQDYHSQBANBLQ-XMMISQBUSA-N. The full InChI is InChI=1S/C32H39FN6O3/c1-21-26-7-3-8-27(33)31(26)39(16-5-17-42-2)30(21)23-6-4-15-38(20-23)29(40)19-24(34)18-22-9-11-25(12-10-22)36-32(41)28-13-14-35-37-28/h3,7-14,23-24H,4-6,15-20,34H2,1-2H3,(H,35,37)(H,36,41)/t23?,24-/m1/s1.
What are the key properties of N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide?
N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 574.70 g/mol, XLogP of 4.77, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-amino-4-[3-[7-fluoro-1-(3-methoxypropyl)-3-methylindol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 67535739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).