N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide

C24H21F5N4O2 — CID 170180244

IUPACN-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)Nc2c(-c3cc(F)ccc3F)ccnc2[C@@H]2CCOC2C(F)(F)F)cn1
InChIInChI=1S/C24H21F5N4O2/c1-12(2)22-31-10-13(11-32-22)23(34)33-20-15(17-9-14(25)3-4-18(17)26)5-7-30-19(20)16-6-8-35-21(16)24(27,28)29/h3-5,7,9-12,16,21H,6,8H2,1-2H3,(H,33,34)/t16-,21?/m0/s1
InChIKeyRTSZUIOJNBJQEV-BJQOMGFOSA-N
MW492.45 g/mol
LogP5.63
Rot. Bonds5

About N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide

N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 170180244) has the molecular formula C24H21F5N4O2 and a molecular weight of 492.45 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID170180244
Molecular FormulaC24H21F5N4O2
Molecular Weight492.45 g/mol
Exact Mass492.16
IUPAC NameN-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)Nc2c(-c3cc(F)ccc3F)ccnc2[C@@H]2CCOC2C(F)(F)F)cn1
InChIInChI=1S/C24H21F5N4O2/c1-12(2)22-31-10-13(11-32-22)23(34)33-20-15(17-9-14(25)3-4-18(17)26)5-7-30-19(20)16-6-8-35-21(16)24(27,28)29/h3-5,7,9-12,16,21H,6,8H2,1-2H3,(H,33,34)/t16-,21?/m0/s1
InChIKeyRTSZUIOJNBJQEV-BJQOMGFOSA-N
XLogP5.63
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-difluorophenyl)-2-[(3S,4R)-3-methyloxan-4-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 168743294
N-[4-[4-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)oxan-4-yl]-3-pyridinyl]phenyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 175590801
N-[2-(4,4-difluoro-6,6-dimethylcyclohexen-1-yl)-4-(2,5-difluorophenyl)-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 170179200
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 74239991
N-[4-[2-(5,5-difluorooxan-2-yl)-4-(2,5-difluorophenyl)-3-pyridinyl]phenyl]-2-ethoxypyrimidine-5-carboxamide
CID 175590715
N-[4-(2-fluorophenyl)-6-methyl-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 168821328
N-[2-[(2R)-5,5-difluorooxan-2-yl]-4-(3-fluoro-2-pyridinyl)-3-pyridinyl]-2-ethoxypyrimidine-5-carboxamide
CID 175896208
4-(2,5-difluorophenyl)-2-(3-fluoropyrrolidin-1-yl)-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
CID 167995134
N-(2,4-difluorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247233
5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62152689
N-[5-(7-ethyl-6-oxo-1,2,4,5,5a,11b-hexahydrooxepino[4,5-c][1,8]naphthyridin-10-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 139393813
N-[(3S)-3-[[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 46899223

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 170180244) is N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)Nc2c(-c3cc(F)ccc3F)ccnc2[C@@H]2CCOC2C(F)(F)F)cn1.
What is the InChIKey of N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is RTSZUIOJNBJQEV-BJQOMGFOSA-N. The full InChI is InChI=1S/C24H21F5N4O2/c1-12(2)22-31-10-13(11-32-22)23(34)33-20-15(17-9-14(25)3-4-18(17)26)5-7-30-19(20)16-6-8-35-21(16)24(27,28)29/h3-5,7,9-12,16,21H,6,8H2,1-2H3,(H,33,34)/t16-,21?/m0/s1.
What are the key properties of N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide?
N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 492.45 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-difluorophenyl)-2-[(3S)-2-(trifluoromethyl)oxolan-3-yl]-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 170180244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).