(2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine

C20H21F5N4O2 — CID 177218455

IUPAC(2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine
SMILESCOc1c(C2CO[C@@](C)(C(F)(F)F)C2C)ccc(F)c1F.Nc1nccc2[nH]cnc12
InChIInChI=1S/C14H15F5O2.C6H6N4/c1-7-9(6-21-13(7,2)14(17,18)19)8-4-5-10(15)11(16)12(8)20-3;7-6-5-4(1-2-8-6)9-3-10-5/h4-5,7,9H,6H2,1-3H3;1-3H,(H2,7,8)(H,9,10)/t7?,9?,13-;/m1./s1
InChIKeyKLPLZRJKIDRAIC-LFKUHKJMSA-N
MW444.40 g/mol
LogP4.58
Rot. Bonds2

About (2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine

(2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 177218455) has the molecular formula C20H21F5N4O2 and a molecular weight of 444.40 g/mol. Its IUPAC name is (2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name(2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID177218455
Molecular FormulaC20H21F5N4O2
Molecular Weight444.40 g/mol
Exact Mass444.16
IUPAC Name(2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine
SMILESCOc1c(C2CO[C@@](C)(C(F)(F)F)C2C)ccc(F)c1F.Nc1nccc2[nH]cnc12
InChIInChI=1S/C14H15F5O2.C6H6N4/c1-7-9(6-21-13(7,2)14(17,18)19)8-4-5-10(15)11(16)12(8)20-3;7-6-5-4(1-2-8-6)9-3-10-5/h4-5,7,9H,6H2,1-3H3;1-3H,(H2,7,8)(H,9,10)/t7?,9?,13-;/m1./s1
InChIKeyKLPLZRJKIDRAIC-LFKUHKJMSA-N
XLogP4.58
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of (2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine (CID 177218455) is (2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for (2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for (2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine is COc1c(C2CO[C@@](C)(C(F)(F)F)C2C)ccc(F)c1F.Nc1nccc2[nH]cnc12.
What is the InChIKey of (2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is KLPLZRJKIDRAIC-LFKUHKJMSA-N. The full InChI is InChI=1S/C14H15F5O2.C6H6N4/c1-7-9(6-21-13(7,2)14(17,18)19)8-4-5-10(15)11(16)12(8)20-3;7-6-5-4(1-2-8-6)9-3-10-5/h4-5,7,9H,6H2,1-3H3;1-3H,(H2,7,8)(H,9,10)/t7?,9?,13-;/m1./s1.
What are the key properties of (2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine?
(2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 444.40 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 177218455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).