N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide

C34H44N10O3 — CID 91358960

IUPACN-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide
SMILESCN1CCC(N2CCN(C(=O)C(Cc3ccc4[nH]ncc4c3)NC(=O)N3CCC(n4c(-c5ccccc5)n[nH]c4=O)CC3)CC2)CC1
InChIInChI=1S/C34H44N10O3/c1-40-13-9-27(10-14-40)41-17-19-42(20-18-41)32(45)30(22-24-7-8-29-26(21-24)23-35-37-29)36-33(46)43-15-11-28(12-16-43)44-31(38-39-34(44)47)25-5-3-2-4-6-25/h2-8,21,23,27-28,30H,9-20,22H2,1H3,(H,35,37)(H,36,46)(H,39,47)
InChIKeyVOHHUIQXDNVONR-UHFFFAOYSA-N
MW640.79 g/mol
LogP2.31
Rot. Bonds7

About N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide

N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide (PubChem CID 91358960) has the molecular formula C34H44N10O3 and a molecular weight of 640.79 g/mol. Its IUPAC name is N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide
PubChem CID91358960
Molecular FormulaC34H44N10O3
Molecular Weight640.79 g/mol
Exact Mass640.36
IUPAC NameN-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide
SMILESCN1CCC(N2CCN(C(=O)C(Cc3ccc4[nH]ncc4c3)NC(=O)N3CCC(n4c(-c5ccccc5)n[nH]c4=O)CC3)CC2)CC1
InChIInChI=1S/C34H44N10O3/c1-40-13-9-27(10-14-40)41-17-19-42(20-18-41)32(45)30(22-24-7-8-29-26(21-24)23-35-37-29)36-33(46)43-15-11-28(12-16-43)44-31(38-39-34(44)47)25-5-3-2-4-6-25/h2-8,21,23,27-28,30H,9-20,22H2,1H3,(H,35,37)(H,36,46)(H,39,47)
InChIKeyVOHHUIQXDNVONR-UHFFFAOYSA-N
XLogP2.31
TPSA138.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.79
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(1H-indazol-5-yl)-1-oxo-1-(4-piperazin-1-ylpiperidin-1-yl)propan-2-yl]-4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 135445281
N-[(2R)-3-(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 24863333
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
[(2R)-3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 59258094
N-[3-(3,4-dimethylphenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 59260969
N-[3-(7-ethyl-1H-indazol-5-yl)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide
CID 11273879
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-[(2R)-3-(3,4-diethylphenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide
CID 10032297
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
[3-[1-[[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl decanoate
CID 166706901
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
[3-[1-[[3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]-2-oxoquinolin-1-yl]methyl pent-4-enyl carbonate
CID 166706942

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide (CID 91358960) is N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide is CN1CCC(N2CCN(C(=O)C(Cc3ccc4[nH]ncc4c3)NC(=O)N3CCC(n4c(-c5ccccc5)n[nH]c4=O)CC3)CC2)CC1.
What is the InChIKey of N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The InChIKey is VOHHUIQXDNVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N10O3/c1-40-13-9-27(10-14-40)41-17-19-42(20-18-41)32(45)30(22-24-7-8-29-26(21-24)23-35-37-29)36-33(46)43-15-11-28(12-16-43)44-31(38-39-34(44)47)25-5-3-2-4-6-25/h2-8,21,23,27-28,30H,9-20,22H2,1H3,(H,35,37)(H,36,46)(H,39,47).
What are the key properties of N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide?
N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide has a molecular weight of 640.79 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91358960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).