N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C26H28F4N6O2 — CID 164836415

IUPACN-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(F)c(NC(=O)N2CCC(C(F)(F)F)C2)cc1-c1cc(-c2ccnn2C)nc(N2CCOCC2)c1
InChIInChI=1S/C26H28F4N6O2/c1-16-11-20(27)21(33-25(37)36-6-4-18(15-36)26(28,29)30)14-19(16)17-12-22(23-3-5-31-34(23)2)32-24(13-17)35-7-9-38-10-8-35/h3,5,11-14,18H,4,6-10,15H2,1-2H3,(H,33,37)
InChIKeyXSEUTAHZEWYMBL-UHFFFAOYSA-N
MW532.54 g/mol
LogP4.85
Rot. Bonds4

About N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide

N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 164836415) has the molecular formula C26H28F4N6O2 and a molecular weight of 532.54 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID164836415
Molecular FormulaC26H28F4N6O2
Molecular Weight532.54 g/mol
Exact Mass532.22
IUPAC NameN-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(F)c(NC(=O)N2CCC(C(F)(F)F)C2)cc1-c1cc(-c2ccnn2C)nc(N2CCOCC2)c1
InChIInChI=1S/C26H28F4N6O2/c1-16-11-20(27)21(33-25(37)36-6-4-18(15-36)26(28,29)30)14-19(16)17-12-22(23-3-5-31-34(23)2)32-24(13-17)35-7-9-38-10-8-35/h3,5,11-14,18H,4,6-10,15H2,1-2H3,(H,33,37)
InChIKeyXSEUTAHZEWYMBL-UHFFFAOYSA-N
XLogP4.85
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 164836415) is N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is Cc1cc(F)c(NC(=O)N2CCC(C(F)(F)F)C2)cc1-c1cc(-c2ccnn2C)nc(N2CCOCC2)c1.
What is the InChIKey of N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is XSEUTAHZEWYMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4N6O2/c1-16-11-20(27)21(33-25(37)36-6-4-18(15-36)26(28,29)30)14-19(16)17-12-22(23-3-5-31-34(23)2)32-24(13-17)35-7-9-38-10-8-35/h3,5,11-14,18H,4,6-10,15H2,1-2H3,(H,33,37).
What are the key properties of N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 532.54 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-5-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164836415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).