(2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide

C26H29F3N6O3 — CID 162764802

IUPAC(2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1-c1cc(-c2ccnn2C)nc(N2CCOCC2)c1
InChIInChI=1S/C26H29F3N6O3/c1-17-3-4-19(31-25(36)35-9-12-38-23(16-35)26(27,28)29)15-20(17)18-13-21(22-5-6-30-33(22)2)32-24(14-18)34-7-10-37-11-8-34/h3-6,13-15,23H,7-12,16H2,1-2H3,(H,31,36)/t23-/m1/s1
InChIKeyGUBHOQAZCBUXTN-HSZRJFAPSA-N
MW530.55 g/mol
LogP4.09
Rot. Bonds4

About (2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide

(2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 162764802) has the molecular formula C26H29F3N6O3 and a molecular weight of 530.55 g/mol. Its IUPAC name is (2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID162764802
Molecular FormulaC26H29F3N6O3
Molecular Weight530.55 g/mol
Exact Mass530.23
IUPAC Name(2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1-c1cc(-c2ccnn2C)nc(N2CCOCC2)c1
InChIInChI=1S/C26H29F3N6O3/c1-17-3-4-19(31-25(36)35-9-12-38-23(16-35)26(27,28)29)15-20(17)18-13-21(22-5-6-30-33(22)2)32-24(14-18)34-7-10-37-11-8-34/h3-6,13-15,23H,7-12,16H2,1-2H3,(H,31,36)/t23-/m1/s1
InChIKeyGUBHOQAZCBUXTN-HSZRJFAPSA-N
XLogP4.09
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (CID 162764802) is (2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is Cc1ccc(NC(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1-c1cc(-c2ccnn2C)nc(N2CCOCC2)c1.
What is the InChIKey of (2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is GUBHOQAZCBUXTN-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29F3N6O3/c1-17-3-4-19(31-25(36)35-9-12-38-23(16-35)26(27,28)29)15-20(17)18-13-21(22-5-6-30-33(22)2)32-24(14-18)34-7-10-37-11-8-34/h3-6,13-15,23H,7-12,16H2,1-2H3,(H,31,36)/t23-/m1/s1.
What are the key properties of (2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
(2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 530.55 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-methyl-3-[2-(2-methylpyrazol-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 162764802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).