(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide

C24H24FN5O — CID 169176226

IUPAC(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)N2c2ccccn2)cc1-c1ncc(F)cn1
InChIInChI=1S/C24H24FN5O/c1-15-5-8-18(12-19(15)23-27-13-17(25)14-28-23)29-24(31)21-10-9-20(16-6-7-16)30(21)22-4-2-3-11-26-22/h2-5,8,11-14,16,20-21H,6-7,9-10H2,1H3,(H,29,31)/t20-,21+/m1/s1
InChIKeyBCVXUKLPEUTRHB-RTWAWAEBSA-N
MW417.49 g/mol
LogP4.37
Rot. Bonds5

About (2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide

(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide (PubChem CID 169176226) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is (2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide
PubChem CID169176226
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)N2c2ccccn2)cc1-c1ncc(F)cn1
InChIInChI=1S/C24H24FN5O/c1-15-5-8-18(12-19(15)23-27-13-17(25)14-28-23)29-24(31)21-10-9-20(16-6-7-16)30(21)22-4-2-3-11-26-22/h2-5,8,11-14,16,20-21H,6-7,9-10H2,1H3,(H,29,31)/t20-,21+/m1/s1
InChIKeyBCVXUKLPEUTRHB-RTWAWAEBSA-N
XLogP4.37
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide (CID 169176226) is (2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)N2c2ccccn2)cc1-c1ncc(F)cn1.
What is the InChIKey of (2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is BCVXUKLPEUTRHB-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-15-5-8-18(12-19(15)23-27-13-17(25)14-28-23)29-24(31)21-10-9-20(16-6-7-16)30(21)22-4-2-3-11-26-22/h2-5,8,11-14,16,20-21H,6-7,9-10H2,1H3,(H,29,31)/t20-,21+/m1/s1.
What are the key properties of (2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide?
(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 169176226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).