5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine

C44H46Cl4F2N10O2 — CID 157456100

IUPAC5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine
SMILESC[C@@H](Nc1c(-c2ccc(F)cc2Cl)c(Cl)cc2c(C3=NC=CON3)cnn12)C(C)(C)C.C[C@@H](Nc1c(-c2ccc(F)cc2Cl)c(Cl)cc2c(C3=NCCON3)cnn12)C(C)(C)C
InChIInChI=1S/C22H24Cl2FN5O.C22H22Cl2FN5O/c2*1-12(22(2,3)4)28-21-19(14-6-5-13(25)9-16(14)23)17(24)10-18-15(11-27-30(18)21)20-26-7-8-31-29-20/h5-6,9-12,28H,7-8H2,1-4H3,(H,26,29);5-12,28H,1-4H3,(H,26,29)/t2*12-/m11/s1
InChIKeyBTJKDDJZIWDPJO-FUKRVRFJSA-N
MW926.73 g/mol
LogP11.62
Rot. Bonds8

About 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine

5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 157456100) has the molecular formula C44H46Cl4F2N10O2 and a molecular weight of 926.73 g/mol. Its IUPAC name is 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID157456100
Molecular FormulaC44H46Cl4F2N10O2
Molecular Weight926.73 g/mol
Exact Mass924.25
IUPAC Name5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine
SMILESC[C@@H](Nc1c(-c2ccc(F)cc2Cl)c(Cl)cc2c(C3=NC=CON3)cnn12)C(C)(C)C.C[C@@H](Nc1c(-c2ccc(F)cc2Cl)c(Cl)cc2c(C3=NCCON3)cnn12)C(C)(C)C
InChIInChI=1S/C22H24Cl2FN5O.C22H22Cl2FN5O/c2*1-12(22(2,3)4)28-21-19(14-6-5-13(25)9-16(14)23)17(24)10-18-15(11-27-30(18)21)20-26-7-8-31-29-20/h5-6,9-12,28H,7-8H2,1-4H3,(H,26,29);5-12,28H,1-4H3,(H,26,29)/t2*12-/m11/s1
InChIKeyBTJKDDJZIWDPJO-FUKRVRFJSA-N
XLogP11.62
TPSA125.90 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500926.73
LogP ≤ 511.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine with MolForge

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Related Compounds

5-chloro-6-(2-chloro-4-fluorophenyl)-7-(3,3-dimethylbutan-2-ylamino)-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 135481001
5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58949550
N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
CID 115750251
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
(E)-N-[5-chloro-6-(2-chloro-4-fluorophenyl)-3-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3,3-dimethylbutan-2-imine
CID 143095632
2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476660
2-(2-chloro-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137815
4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
CID 55143798
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
3-(2-chloro-4-fluoroanilino)-2-methylbutan-2-ol
CID 65332798
4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine
CID 140655061
4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine (CID 157456100) is 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine is C[C@@H](Nc1c(-c2ccc(F)cc2Cl)c(Cl)cc2c(C3=NC=CON3)cnn12)C(C)(C)C.C[C@@H](Nc1c(-c2ccc(F)cc2Cl)c(Cl)cc2c(C3=NCCON3)cnn12)C(C)(C)C.
What is the InChIKey of 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is BTJKDDJZIWDPJO-FUKRVRFJSA-N. The full InChI is InChI=1S/C22H24Cl2FN5O.C22H22Cl2FN5O/c2*1-12(22(2,3)4)28-21-19(14-6-5-13(25)9-16(14)23)17(24)10-18-15(11-27-30(18)21)20-26-7-8-31-29-20/h5-6,9-12,28H,7-8H2,1-4H3,(H,26,29);5-12,28H,1-4H3,(H,26,29)/t2*12-/m11/s1.
What are the key properties of 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine?
5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 926.73 g/mol, XLogP of 11.62, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-chloro-4-fluorophenyl)-3-(5,6-dihydro-2H-1,2,4-oxadiazin-3-yl)-N-[(2R)-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyridin-7-amine;5-chloro-6-(2-chloro-4-fluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-(2H-1,2,4-oxadiazin-3-yl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 157456100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).