N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C18H22F3N5O2 — CID 118485042

IUPACN-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)n(CC(F)(F)F)n1
InChIInChI=1S/C18H22F3N5O2/c1-11(2)14-7-15(26(25-14)10-18(19,20)21)17(27)24-12-3-4-13(23-8-12)16-9-22-5-6-28-16/h3-4,7-8,11,16,22H,5-6,9-10H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyNYOUKMMVMHBOOS-INIZCTEOSA-N
MW397.40 g/mol
LogP2.88
Rot. Bonds5

About N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 118485042) has the molecular formula C18H22F3N5O2 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID118485042
Molecular FormulaC18H22F3N5O2
Molecular Weight397.40 g/mol
Exact Mass397.17
IUPAC NameN-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)n(CC(F)(F)F)n1
InChIInChI=1S/C18H22F3N5O2/c1-11(2)14-7-15(26(25-14)10-18(19,20)21)17(27)24-12-3-4-13(23-8-12)16-9-22-5-6-28-16/h3-4,7-8,11,16,22H,5-6,9-10H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeyNYOUKMMVMHBOOS-INIZCTEOSA-N
XLogP2.88
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71112658
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl)-5-fluoropicolinamide
CID 73437698
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 73437699
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(methoxymethyl)phenyl)-5-fluoropicolinamide
CID 73438190
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-(2,6-difluoro-4-propanoylphenyl)-5-fluoropyridine-2-carboxamide
CID 73438244
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(4-fluorotetrahydro-2H-pyran-4-yl)phenyl)-5-fluoropicolinamide
CID 73438245
N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(1-methoxyethyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 73438302
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[4-[cyclopropyl(methoxy)methyl]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxamide
CID 73438304
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,3-difluorophenyl)-5-fluoropicolinamide
CID 73438413
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,5-difluorophenyl)-5-fluoropicolinamide
CID 86713895
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 90072379

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 118485042) is N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CC(C)c1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)nc2)n(CC(F)(F)F)n1.
What is the InChIKey of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is NYOUKMMVMHBOOS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22F3N5O2/c1-11(2)14-7-15(26(25-14)10-18(19,20)21)17(27)24-12-3-4-13(23-8-12)16-9-22-5-6-28-16/h3-4,7-8,11,16,22H,5-6,9-10H2,1-2H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 118485042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).