1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C17H17ClN6O2 — CID 142550469

IUPAC1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC(=O)N(c2n[nH]c3c(Cl)cccc23)C1
InChIInChI=1S/C17H17ClN6O2/c18-13-3-1-2-12-15(13)22-23-16(12)24-8-10(6-14(24)25)17(26)20-5-4-11-7-19-9-21-11/h1-3,7,9-10H,4-6,8H2,(H,19,21)(H,20,26)(H,22,23)
InChIKeyMCXQHNLGSHUYBL-UHFFFAOYSA-N
MW372.82 g/mol
LogP1.65
Rot. Bonds5

About 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 142550469) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID142550469
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)C1CC(=O)N(c2n[nH]c3c(Cl)cccc23)C1
InChIInChI=1S/C17H17ClN6O2/c18-13-3-1-2-12-15(13)22-23-16(12)24-8-10(6-14(24)25)17(26)20-5-4-11-7-19-9-21-11/h1-3,7,9-10H,4-6,8H2,(H,19,21)(H,20,26)(H,22,23)
InChIKeyMCXQHNLGSHUYBL-UHFFFAOYSA-N
XLogP1.65
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-4-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71709695
(2e)-N-{(1s)-1-[4-(3-Amino-1h-Indazol-6-Yl)-1h-Imidazol-2-Yl]-2-Phenylethyl}-3-[5-Chloro-2-(1h-Tetrazol-1-Yl)phenyl]prop-2-Enamide
CID 90478342
(3S)-3-[3-[[2-[(4-chloro-1H-benzimidazol-5-yl)methyl-methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]-1-methylpyrrolidin-2-one
CID 122182483
(3R)-3-[3-[[2-[(4-chloro-1H-benzimidazol-5-yl)methyl-methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]-1-methylpyrrolidin-2-one
CID 122182484
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(17S)-12-oxo-6,7,11,19,21-pentazatetracyclo[16.2.1.02,10.04,8]henicosa-1(20),2(10),3,5,8,18-hexaen-17-yl]prop-2-enamide
CID 136478040
(2S,4R)-1-(2-(3-(1H-imidazol-5-yl)-1H-pyrazolo[3,4-c]pyridin-1-yl)acetyl)-N-(3-chloro-2-fluorobenzyl)-4-fluoropyrrolidine-2-carboxamide
CID 136992764
US20230295157, Example 259
CID 169058509
N-[(1S)-1-(4-chlorophenyl)propyl]-1-[6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118696862
US9777003, Example 175
CID 118159517
US9777003, Example 174
CID 118159529
US11136327, Example I-136
CID 136478042
US20230391786, Example 328
CID 170426577

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 142550469) is 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1cnc[nH]1)C1CC(=O)N(c2n[nH]c3c(Cl)cccc23)C1.
What is the InChIKey of 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MCXQHNLGSHUYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c18-13-3-1-2-12-15(13)22-23-16(12)24-8-10(6-14(24)25)17(26)20-5-4-11-7-19-9-21-11/h1-3,7,9-10H,4-6,8H2,(H,19,21)(H,20,26)(H,22,23).
What are the key properties of 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.82 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142550469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).