[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone

C18H17ClN4O — CID 118879403

IUPAC[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone
SMILESCc1[nH]nc2cnc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12
InChIInChI=1S/C18H17ClN4O/c1-11-14-9-15(20-10-16(14)22-21-11)18(24)23-8-2-3-17(23)12-4-6-13(19)7-5-12/h4-7,9-10,17H,2-3,8H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyFLEYJCJMMRLIBV-KRWDZBQOSA-N
MW340.81 g/mol
LogP3.90
Rot. Bonds2

About [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone

[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone (PubChem CID 118879403) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone
PubChem CID118879403
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone
SMILESCc1[nH]nc2cnc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12
InChIInChI=1S/C18H17ClN4O/c1-11-14-9-15(20-10-16(14)22-21-11)18(24)23-8-2-3-17(23)12-4-6-13(19)7-5-12/h4-7,9-10,17H,2-3,8H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyFLEYJCJMMRLIBV-KRWDZBQOSA-N
XLogP3.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 130423718
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118892627
[2-(4-chlorophenyl)azepan-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423609
[(2S)-2-(4-bromophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 118879407
[(2R)-2-(4-bromophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 130423731
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]methanone
CID 118879521
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone
CID 130423454
[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423553
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423654
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(2-methylprop-2-enyl)-2H-indazol-5-yl]methanone
CID 163859685

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone?
The IUPAC name of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone (CID 118879403) is [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone?
The canonical SMILES for [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone is Cc1[nH]nc2cnc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12.
What is the InChIKey of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone?
The InChIKey is FLEYJCJMMRLIBV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-14-9-15(20-10-16(14)22-21-11)18(24)23-8-2-3-17(23)12-4-6-13(19)7-5-12/h4-7,9-10,17H,2-3,8H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone?
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone has a molecular weight of 340.81 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone is sourced from PubChem (CID 118879403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).