(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride

C20H20Cl2N4O2 — CID 169208014

IUPAC(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(=O)c1ccc(Cl)c(-c2ccc3[nH]nc(NC(=O)[C@@H]4CCNC4)c3c2)c1.Cl
InChIInChI=1S/C20H19ClN4O2.ClH/c1-11(26)12-2-4-17(21)15(8-12)13-3-5-18-16(9-13)19(25-24-18)23-20(27)14-6-7-22-10-14;/h2-5,8-9,14,22H,6-7,10H2,1H3,(H2,23,24,25,27);1H/t14-;/m1./s1
InChIKeyCVJVNHIAWDFTSJ-PFEQFJNWSA-N
MW419.31 g/mol
LogP4.06
Rot. Bonds4

About (3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride

(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 169208014) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is (3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID169208014
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(=O)c1ccc(Cl)c(-c2ccc3[nH]nc(NC(=O)[C@@H]4CCNC4)c3c2)c1.Cl
InChIInChI=1S/C20H19ClN4O2.ClH/c1-11(26)12-2-4-17(21)15(8-12)13-3-5-18-16(9-13)19(25-24-18)23-20(27)14-6-7-22-10-14;/h2-5,8-9,14,22H,6-7,10H2,1H3,(H2,23,24,25,27);1H/t14-;/m1./s1
InChIKeyCVJVNHIAWDFTSJ-PFEQFJNWSA-N
XLogP4.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207870
(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 169208592
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide
CID 169207878
(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 169208126
(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207900
N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208499
N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207949
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208450
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopropylamino)cyclobutane-1-carboxamide
CID 169208416
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(propan-2-ylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169207855
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopentylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208370
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(2-fluoroethylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169207867

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride (CID 169208014) is (3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride is CC(=O)c1ccc(Cl)c(-c2ccc3[nH]nc(NC(=O)[C@@H]4CCNC4)c3c2)c1.Cl.
What is the InChIKey of (3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is CVJVNHIAWDFTSJ-PFEQFJNWSA-N. The full InChI is InChI=1S/C20H19ClN4O2.ClH/c1-11(26)12-2-4-17(21)15(8-12)13-3-5-18-16(9-13)19(25-24-18)23-20(27)14-6-7-22-10-14;/h2-5,8-9,14,22H,6-7,10H2,1H3,(H2,23,24,25,27);1H/t14-;/m1./s1.
What are the key properties of (3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 419.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 169208014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).