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

C25H30F4N4O4 — CID 155160569

IUPACN-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(F)c(NC(=O)N2CC(C)C(C(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C25H30F4N4O4/c1-15-9-20(26)21(30-24(35)33-13-16(2)19(14-33)25(27,28)29)12-18(15)17-10-22(32-3-6-36-7-4-32)31-23(11-17)37-8-5-34/h9-12,16,19,34H,3-8,13-14H2,1-2H3,(H,30,35)
InChIKeyDWPZXSKEQBEFMW-UHFFFAOYSA-N
MW526.53 g/mol
LogP4.07
Rot. Bonds6

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

N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 155160569) has the molecular formula C25H30F4N4O4 and a molecular weight of 526.53 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID155160569
Molecular FormulaC25H30F4N4O4
Molecular Weight526.53 g/mol
Exact Mass526.22
IUPAC NameN-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(F)c(NC(=O)N2CC(C)C(C(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C25H30F4N4O4/c1-15-9-20(26)21(30-24(35)33-13-16(2)19(14-33)25(27,28)29)12-18(15)17-10-22(32-3-6-36-7-4-32)31-23(11-17)37-8-5-34/h9-12,16,19,34H,3-8,13-14H2,1-2H3,(H,30,35)
InChIKeyDWPZXSKEQBEFMW-UHFFFAOYSA-N
XLogP4.07
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.53
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 155144936
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide
CID 155160630
(3E)-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethylidene)pyrrolidine-1-carboxamide
CID 155160609
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 155160607
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide
CID 155160592
1-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-[3-(trifluoromethyl)cyclopentyl]urea
CID 155160638
3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 155160622
(3R)-N-[2-fluoro-5-[2-[(2R)-2-hydroxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 167395770
3-hydroxy-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160907
N-[2-fluoro-4-methyl-5-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide
CID 155253739
(3S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 155160905
N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468178

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 155160569) is N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide is Cc1cc(F)c(NC(=O)N2CC(C)C(C(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.
What is the InChIKey of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is DWPZXSKEQBEFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F4N4O4/c1-15-9-20(26)21(30-24(35)33-13-16(2)19(14-33)25(27,28)29)12-18(15)17-10-22(32-3-6-36-7-4-32)31-23(11-17)37-8-5-34/h9-12,16,19,34H,3-8,13-14H2,1-2H3,(H,30,35).
What are the key properties of N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 526.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 155160569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).