(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide

C20H23N5O — CID 97333945

IUPAC(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c2ncccc2c1
InChIInChI=1S/C20H23N5O/c1-12-10-15-6-4-8-21-19(15)16(11-12)22-20(26)25-9-5-7-17(25)18-13(2)23-24-14(18)3/h4,6,8,10-11,17H,5,7,9H2,1-3H3,(H,22,26)(H,23,24)/t17-/m0/s1
InChIKeyXQQMWNUTBFCHSX-KRWDZBQOSA-N
MW349.44 g/mol
LogP4.25
Rot. Bonds2

About (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide (PubChem CID 97333945) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide
PubChem CID97333945
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c2ncccc2c1
InChIInChI=1S/C20H23N5O/c1-12-10-15-6-4-8-21-19(15)16(11-12)22-20(26)25-9-5-7-17(25)18-13(2)23-24-14(18)3/h4,6,8,10-11,17H,5,7,9H2,1-3H3,(H,22,26)(H,23,24)/t17-/m0/s1
InChIKeyXQQMWNUTBFCHSX-KRWDZBQOSA-N
XLogP4.25
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide (CID 97333945) is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c2ncccc2c1.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide?
The InChIKey is XQQMWNUTBFCHSX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-10-15-6-4-8-21-19(15)16(11-12)22-20(26)25-9-5-7-17(25)18-13(2)23-24-14(18)3/h4,6,8,10-11,17H,5,7,9H2,1-3H3,(H,22,26)(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide?
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97333945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).