N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide

C26H26F2N6O2 — CID 149072934

IUPACN-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide
SMILESCOCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cncc(C(C)(F)F)c4)cc3)cn2)cn1
InChIInChI=1S/C26H26F2N6O2/c1-26(27,28)22-11-23(16-29-15-22)33-25(35)10-18-3-5-20(6-4-18)21-13-30-24(31-14-21)9-19-12-32-34(17-19)7-8-36-2/h3-6,11-17H,7-10H2,1-2H3,(H,33,35)
InChIKeyQOIPVLINMXDNLL-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.27
Rot. Bonds10

About N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide

N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 149072934) has the molecular formula C26H26F2N6O2 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide
PubChem CID149072934
Molecular FormulaC26H26F2N6O2
Molecular Weight492.53 g/mol
Exact Mass492.21
IUPAC NameN-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide
SMILESCOCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cncc(C(C)(F)F)c4)cc3)cn2)cn1
InChIInChI=1S/C26H26F2N6O2/c1-26(27,28)22-11-23(16-29-15-22)33-25(35)10-18-3-5-20(6-4-18)21-13-30-24(31-14-21)9-19-12-32-34(17-19)7-8-36-2/h3-6,11-17H,7-10H2,1-2H3,(H,33,35)
InChIKeyQOIPVLINMXDNLL-UHFFFAOYSA-N
XLogP4.27
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1,1-difluoroethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 160935018
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149302260
N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158628068
2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 159863532
2-[4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423336
N-[3-(1,1-difluoroethyl)-4-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 159975103
N-(6-chloropyridazin-4-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149108373
N-(5-ethyl-3-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 157137083
N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide
CID 147628685
2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 160841086
2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2,5-difluorophenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 148657349
2-[4-[2-(3-hydroxy-3-methylbut-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423415

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide?
The IUPAC name of N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide (CID 149072934) is N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide is COCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cncc(C(C)(F)F)c4)cc3)cn2)cn1.
What is the InChIKey of N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is QOIPVLINMXDNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O2/c1-26(27,28)22-11-23(16-29-15-22)33-25(35)10-18-3-5-20(6-4-18)21-13-30-24(31-14-21)9-19-12-32-34(17-19)7-8-36-2/h3-6,11-17H,7-10H2,1-2H3,(H,33,35).
What are the key properties of N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide?
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 492.53 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 149072934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).