(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide

C24H34FN5O — CID 92589623

IUPAC(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCCn1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)c1C
InChIInChI=1S/C24H34FN5O/c1-4-30-17(2)20(14-26-30)16-29-11-9-18(10-12-29)23-13-19(15-28(23)3)24(31)27-22-7-5-21(25)6-8-22/h5-8,14,18-19,23H,4,9-13,15-16H2,1-3H3,(H,27,31)/t19-,23-/m1/s1
InChIKeyWASZKEBCFSFDHY-AUSIDOKSSA-N
MW427.57 g/mol
LogP3.52
Rot. Bonds6

About (3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide

(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide (PubChem CID 92589623) has the molecular formula C24H34FN5O and a molecular weight of 427.57 g/mol. Its IUPAC name is (3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide
PubChem CID92589623
Molecular FormulaC24H34FN5O
Molecular Weight427.57 g/mol
Exact Mass427.27
IUPAC Name(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide
SMILESCCn1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)c1C
InChIInChI=1S/C24H34FN5O/c1-4-30-17(2)20(14-26-30)16-29-11-9-18(10-12-29)23-13-19(15-28(23)3)24(31)27-22-7-5-21(25)6-8-22/h5-8,14,18-19,23H,4,9-13,15-16H2,1-3H3,(H,27,31)/t19-,23-/m1/s1
InChIKeyWASZKEBCFSFDHY-AUSIDOKSSA-N
XLogP3.52
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide (CID 92589623) is (3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide is CCn1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)CN3C)CC2)c1C.
What is the InChIKey of (3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide?
The InChIKey is WASZKEBCFSFDHY-AUSIDOKSSA-N. The full InChI is InChI=1S/C24H34FN5O/c1-4-30-17(2)20(14-26-30)16-29-11-9-18(10-12-29)23-13-19(15-28(23)3)24(31)27-22-7-5-21(25)6-8-22/h5-8,14,18-19,23H,4,9-13,15-16H2,1-3H3,(H,27,31)/t19-,23-/m1/s1.
What are the key properties of (3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide?
(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92589623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).