N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide

C22H22F2N8O2 — CID 170730941

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
SMILESCOc1cnc(NC(C)=O)cc1Nc1cc(-c2cc(C)c3nc(C)nn3c2)nc(C(C)(F)F)n1
InChIInChI=1S/C22H22F2N8O2/c1-11-6-14(10-32-20(11)26-12(2)31-32)15-7-19(30-21(29-15)22(4,23)24)28-16-8-18(27-13(3)33)25-9-17(16)34-5/h6-10H,1-5H3,(H2,25,27,28,29,30,33)
InChIKeyIHJVHKUNHYRXAL-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.02
Rot. Bonds6

About N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide (PubChem CID 170730941) has the molecular formula C22H22F2N8O2 and a molecular weight of 468.47 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
PubChem CID170730941
Molecular FormulaC22H22F2N8O2
Molecular Weight468.47 g/mol
Exact Mass468.18
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
SMILESCOc1cnc(NC(C)=O)cc1Nc1cc(-c2cc(C)c3nc(C)nn3c2)nc(C(C)(F)F)n1
InChIInChI=1S/C22H22F2N8O2/c1-11-6-14(10-32-20(11)26-12(2)31-32)15-7-19(30-21(29-15)22(4,23)24)28-16-8-18(27-13(3)33)25-9-17(16)34-5/h6-10H,1-5H3,(H2,25,27,28,29,30,33)
InChIKeyIHJVHKUNHYRXAL-UHFFFAOYSA-N
XLogP4.02
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide (CID 170730941) is N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide is COc1cnc(NC(C)=O)cc1Nc1cc(-c2cc(C)c3nc(C)nn3c2)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The InChIKey is IHJVHKUNHYRXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N8O2/c1-11-6-14(10-32-20(11)26-12(2)31-32)15-7-19(30-21(29-15)22(4,23)24)28-16-8-18(27-13(3)33)25-9-17(16)34-5/h6-10H,1-5H3,(H2,25,27,28,29,30,33).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide has a molecular weight of 468.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide is sourced from PubChem (CID 170730941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).