N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride

C20H19Cl2N5O — CID 169208450

IUPACN-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride
SMILESCNC1CC(C(=O)Nc2n[nH]c3ccc(-c4cc(C#N)ccc4Cl)cc23)C1.Cl
InChIInChI=1S/C20H18ClN5O.ClH/c1-23-14-7-13(8-14)20(27)24-19-16-9-12(3-5-18(16)25-26-19)15-6-11(10-22)2-4-17(15)21;/h2-6,9,13-14,23H,7-8H2,1H3,(H2,24,25,26,27);1H
InChIKeyYFCKMROXCMNHOS-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.11
Rot. Bonds4

About N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride

N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride (PubChem CID 169208450) has the molecular formula C20H19Cl2N5O and a molecular weight of 416.31 g/mol. Its IUPAC name is N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride
PubChem CID169208450
Molecular FormulaC20H19Cl2N5O
Molecular Weight416.31 g/mol
Exact Mass415.10
IUPAC NameN-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride
SMILESCNC1CC(C(=O)Nc2n[nH]c3ccc(-c4cc(C#N)ccc4Cl)cc23)C1.Cl
InChIInChI=1S/C20H18ClN5O.ClH/c1-23-14-7-13(8-14)20(27)24-19-16-9-12(3-5-18(16)25-26-19)15-6-11(10-22)2-4-17(15)21;/h2-6,9,13-14,23H,7-8H2,1H3,(H2,24,25,26,27);1H
InChIKeyYFCKMROXCMNHOS-UHFFFAOYSA-N
XLogP4.11
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(cyclopropylamino)cyclobutane-1-carboxamide
CID 169208416
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
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide
CID 169207878
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(2-fluoroethylamino)cyclobutane-1-carboxamide
CID 169207868
tert-butyl (5R)-5-[[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]carbamoyl]-2,2-dimethylpiperidine-1-carboxylate
CID 169208093
(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 169208014
N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208499
(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-nitrophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170170455

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride (CID 169208450) is N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride is CNC1CC(C(=O)Nc2n[nH]c3ccc(-c4cc(C#N)ccc4Cl)cc23)C1.Cl.
What is the InChIKey of N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is YFCKMROXCMNHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O.ClH/c1-23-14-7-13(8-14)20(27)24-19-16-9-12(3-5-18(16)25-26-19)15-6-11(10-22)2-4-17(15)21;/h2-6,9,13-14,23H,7-8H2,1H3,(H2,24,25,26,27);1H.
What are the key properties of N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride?
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 416.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 169208450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).