N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide

C19H18F5N7O2 — CID 175990721

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
SMILESCOc1cnc(NC(C)=O)cc1Nc1cc(-c2cn(C)nc2C(F)(F)F)nc(C(C)(F)F)n1
InChIInChI=1S/C19H18F5N7O2/c1-9(32)26-14-6-12(13(33-4)7-25-14)27-15-5-11(28-17(29-15)18(2,20)21)10-8-31(3)30-16(10)19(22,23)24/h5-8H,1-4H3,(H2,25,26,27,28,29,32)
InChIKeyFQDPSTMVJAFHIA-UHFFFAOYSA-N
MW471.39 g/mol
LogP4.11
Rot. Bonds6

About N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide (PubChem CID 175990721) has the molecular formula C19H18F5N7O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
PubChem CID175990721
Molecular FormulaC19H18F5N7O2
Molecular Weight471.39 g/mol
Exact Mass471.14
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
SMILESCOc1cnc(NC(C)=O)cc1Nc1cc(-c2cn(C)nc2C(F)(F)F)nc(C(C)(F)F)n1
InChIInChI=1S/C19H18F5N7O2/c1-9(32)26-14-6-12(13(33-4)7-25-14)27-15-5-11(28-17(29-15)18(2,20)21)10-8-31(3)30-16(10)19(22,23)24/h5-8H,1-4H3,(H2,25,26,27,28,29,32)
InChIKeyFQDPSTMVJAFHIA-UHFFFAOYSA-N
XLogP4.11
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide (CID 175990721) is N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide is COc1cnc(NC(C)=O)cc1Nc1cc(-c2cn(C)nc2C(F)(F)F)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The InChIKey is FQDPSTMVJAFHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N7O2/c1-9(32)26-14-6-12(13(33-4)7-25-14)27-15-5-11(28-17(29-15)18(2,20)21)10-8-31(3)30-16(10)19(22,23)24/h5-8H,1-4H3,(H2,25,26,27,28,29,32).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide has a molecular weight of 471.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide is sourced from PubChem (CID 175990721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).