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

C26H28F4N6O3 — CID 162764921

IUPAC(2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESCc1cc(F)c(NC(=O)N2CCO[C@H](C(F)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1
InChIInChI=1S/C26H28F4N6O3/c1-16-9-20(27)22(33-25(37)36-5-8-39-23(15-36)26(28,29)30)12-19(16)17-10-21(18-13-31-34(2)14-18)32-24(11-17)35-3-6-38-7-4-35/h9-14,23H,3-8,15H2,1-2H3,(H,33,37)/t23-/m0/s1
InChIKeyBGDZKODTLQQPKI-QHCPKHFHSA-N
MW548.54 g/mol
LogP4.23
Rot. Bonds4

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

(2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 162764921) has the molecular formula C26H28F4N6O3 and a molecular weight of 548.54 g/mol. Its IUPAC name is (2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID162764921
Molecular FormulaC26H28F4N6O3
Molecular Weight548.54 g/mol
Exact Mass548.22
IUPAC Name(2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESCc1cc(F)c(NC(=O)N2CCO[C@H](C(F)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1
InChIInChI=1S/C26H28F4N6O3/c1-16-9-20(27)22(33-25(37)36-5-8-39-23(15-36)26(28,29)30)12-19(16)17-10-21(18-13-31-34(2)14-18)32-24(11-17)35-3-6-38-7-4-35/h9-14,23H,3-8,15H2,1-2H3,(H,33,37)/t23-/m0/s1
InChIKeyBGDZKODTLQQPKI-QHCPKHFHSA-N
XLogP4.23
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (CID 162764921) is (2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is Cc1cc(F)c(NC(=O)N2CCO[C@H](C(F)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.
What is the InChIKey of (2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is BGDZKODTLQQPKI-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28F4N6O3/c1-16-9-20(27)22(33-25(37)36-5-8-39-23(15-36)26(28,29)30)12-19(16)17-10-21(18-13-31-34(2)14-18)32-24(11-17)35-3-6-38-7-4-35/h9-14,23H,3-8,15H2,1-2H3,(H,33,37)/t23-/m0/s1.
What are the key properties of (2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
(2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 548.54 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 162764921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).