3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide

C24H22F3N5OS — CID 135306804

IUPAC3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCc1cc(-c2[nH]nc3sc(C(=O)N[C@H]4CN(C)C[C@@H]4c4ccccc4C(F)(F)F)cc23)ccn1
InChIInChI=1S/C24H22F3N5OS/c1-13-9-14(7-8-28-13)21-16-10-20(34-23(16)31-30-21)22(33)29-19-12-32(2)11-17(19)15-5-3-4-6-18(15)24(25,26)27/h3-10,17,19H,11-12H2,1-2H3,(H,29,33)(H,30,31)/t17-,19+/m1/s1
InChIKeyRNTZNMHDYYXKNJ-MJGOQNOKSA-N
MW485.54 g/mol
LogP4.84
Rot. Bonds4

About 3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide

3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 135306804) has the molecular formula C24H22F3N5OS and a molecular weight of 485.54 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID135306804
Molecular FormulaC24H22F3N5OS
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC Name3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCc1cc(-c2[nH]nc3sc(C(=O)N[C@H]4CN(C)C[C@@H]4c4ccccc4C(F)(F)F)cc23)ccn1
InChIInChI=1S/C24H22F3N5OS/c1-13-9-14(7-8-28-13)21-16-10-20(34-23(16)31-30-21)22(33)29-19-12-32(2)11-17(19)15-5-3-4-6-18(15)24(25,26)27/h3-10,17,19H,11-12H2,1-2H3,(H,29,33)(H,30,31)/t17-,19+/m1/s1
InChIKeyRNTZNMHDYYXKNJ-MJGOQNOKSA-N
XLogP4.84
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 135306804) is 3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide is Cc1cc(-c2[nH]nc3sc(C(=O)N[C@H]4CN(C)C[C@@H]4c4ccccc4C(F)(F)F)cc23)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is RNTZNMHDYYXKNJ-MJGOQNOKSA-N. The full InChI is InChI=1S/C24H22F3N5OS/c1-13-9-14(7-8-28-13)21-16-10-20(34-23(16)31-30-21)22(33)29-19-12-32(2)11-17(19)15-5-3-4-6-18(15)24(25,26)27/h3-10,17,19H,11-12H2,1-2H3,(H,29,33)(H,30,31)/t17-,19+/m1/s1.
What are the key properties of 3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-N-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 135306804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).