(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone

C23H22ClN5O — CID 118682264

IUPAC(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESC[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN5O/c1-15-8-16(13-28(15)23(30)17-2-5-21(24)6-3-17)14-29-22-7-4-18(9-19(22)12-27-29)20-10-25-26-11-20/h2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26)/t15-,16?/m1/s1
InChIKeyOJXZPIBXSHBWJJ-AAFJCEBUSA-N
MW419.92 g/mol
LogP4.63
Rot. Bonds4

About (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone

(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 118682264) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID118682264
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESC[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN5O/c1-15-8-16(13-28(15)23(30)17-2-5-21(24)6-3-17)14-29-22-7-4-18(9-19(22)12-27-29)20-10-25-26-11-20/h2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26)/t15-,16?/m1/s1
InChIKeyOJXZPIBXSHBWJJ-AAFJCEBUSA-N
XLogP4.63
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118682204
2-[(2R,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile
CID 118683591
3-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 118683542
3-[3-[(2S,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]-3-oxopropyl]benzonitrile
CID 154402536
phenyl-[3-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118674511
[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 118682966
(4-fluorophenyl)-[2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118681779
(4-fluorophenyl)-[(2S,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 118682755
(2-fluorophenyl)-[4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]piperidin-1-yl]methanone
CID 118674449
3-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 118682307
1-[[(3R,5S)-1-[3-(difluoromethyl)phenyl]sulfonyl-5-methylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 118683610
3-[(2S,4S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]sulfonylbenzonitrile
CID 154402542

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 118682264) is (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone is C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is OJXZPIBXSHBWJJ-AAFJCEBUSA-N. The full InChI is InChI=1S/C23H22ClN5O/c1-15-8-16(13-28(15)23(30)17-2-5-21(24)6-3-17)14-29-22-7-4-18(9-19(22)12-27-29)20-10-25-26-11-20/h2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26)/t15-,16?/m1/s1.
What are the key properties of (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 419.92 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118682264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).