(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine

C19H19F6N5O2 — CID 171557541

IUPAC(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine
SMILESCC1(C)O[C@@H]2[C@@H](Nc3cncc(C(F)(F)F)n3)CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2O1
InChIInChI=1S/C19H19F6N5O2/c1-17(2)31-12-9-30(15-4-3-10(5-27-15)18(20,21)22)8-11(16(12)32-17)28-14-7-26-6-13(29-14)19(23,24)25/h3-7,11-12,16H,8-9H2,1-2H3,(H,28,29)/t11-,12-,16+/m0/s1
InChIKeyXNPDHYXYZIWEPJ-MQIPJXDCSA-N
MW463.38 g/mol
LogP3.73
Rot. Bonds3

About (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine

(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine (PubChem CID 171557541) has the molecular formula C19H19F6N5O2 and a molecular weight of 463.38 g/mol. Its IUPAC name is (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine.

Molecular Properties

Compound Name(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine
PubChem CID171557541
Molecular FormulaC19H19F6N5O2
Molecular Weight463.38 g/mol
Exact Mass463.14
IUPAC Name(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine
SMILESCC1(C)O[C@@H]2[C@@H](Nc3cncc(C(F)(F)F)n3)CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2O1
InChIInChI=1S/C19H19F6N5O2/c1-17(2)31-12-9-30(15-4-3-10(5-27-15)18(20,21)22)8-11(16(12)32-17)28-14-7-26-6-13(29-14)19(23,24)25/h3-7,11-12,16H,8-9H2,1-2H3,(H,28,29)/t11-,12-,16+/m0/s1
InChIKeyXNPDHYXYZIWEPJ-MQIPJXDCSA-N
XLogP3.73
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

4-amino-1-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672555
4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56682558
4-amino-1-[[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56665787
(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(5-methylpyrazin-2-yl)-2-pyridinyl]piperidin-4-amine
CID 118264048
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]-2-pyridinyl]-5-methylpyrazin-2-amine
CID 167499965
N-[6-(3,3-difluoropyrrolidin-1-yl)-4-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methylpyrazin-2-amine
CID 167500098
1-(Oxolan-2-ylmethyl)-3-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]thiourea
CID 2741790
4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 95710971
(S)-4-(2,2-Dimethyl-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)-N2-[1-(4-fluorophenyl)ethyl]-N6-(pyrazin-2-yl)pyridine-2,6-diamine
CID 67007952
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine
CID 70672080
(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[5-(trifluoromethyl)pyridin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 71548368
2-N-(2-methoxyethyl)-2-N-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]-4-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2,5,6,8,9-hexahydropyrimido[4,5-d]azepine-2,4-diamine
CID 87680835

Frequently Asked Questions

What is the IUPAC name of (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine?
The IUPAC name of (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine (CID 171557541) is (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine.
What is the SMILES notation for (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine?
The canonical SMILES for (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine is CC1(C)O[C@@H]2[C@@H](Nc3cncc(C(F)(F)F)n3)CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2O1.
What is the InChIKey of (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine?
The InChIKey is XNPDHYXYZIWEPJ-MQIPJXDCSA-N. The full InChI is InChI=1S/C19H19F6N5O2/c1-17(2)31-12-9-30(15-4-3-10(5-27-15)18(20,21)22)8-11(16(12)32-17)28-14-7-26-6-13(29-14)19(23,24)25/h3-7,11-12,16H,8-9H2,1-2H3,(H,28,29)/t11-,12-,16+/m0/s1.
What are the key properties of (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine?
(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine has a molecular weight of 463.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine is sourced from PubChem (CID 171557541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).