(4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide

C18H16ClN5O2 — CID 167527830

IUPAC(4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2ccc3cn[nH]c3c2)N1
InChIInChI=1S/C18H16ClN5O2/c19-13-5-3-10(4-6-13)16(23-17(25)15-9-20-18(26)22-15)11-1-2-12-8-21-24-14(12)7-11/h1-8,15-16H,9H2,(H,21,24)(H,23,25)(H2,20,22,26)/t15-,16+/m0/s1
InChIKeyKWYJVIMHMHYXFQ-JKSUJKDBSA-N
MW369.81 g/mol
LogP2.10
Rot. Bonds4

About (4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 167527830) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is (4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID167527830
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name(4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2ccc3cn[nH]c3c2)N1
InChIInChI=1S/C18H16ClN5O2/c19-13-5-3-10(4-6-13)16(23-17(25)15-9-20-18(26)22-15)11-1-2-12-8-21-24-14(12)7-11/h1-8,15-16H,9H2,(H,21,24)(H,23,25)(H2,20,22,26)/t15-,16+/m0/s1
InChIKeyKWYJVIMHMHYXFQ-JKSUJKDBSA-N
XLogP2.10
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 167527830) is (4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2ccc3cn[nH]c3c2)N1.
What is the InChIKey of (4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is KWYJVIMHMHYXFQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-13-5-3-10(4-6-13)16(23-17(25)15-9-20-18(26)22-15)11-1-2-12-8-21-24-14(12)7-11/h1-8,15-16H,9H2,(H,21,24)(H,23,25)(H2,20,22,26)/t15-,16+/m0/s1.
What are the key properties of (4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-(4-chlorophenyl)-(1H-indazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 167527830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).