N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine

C26H28F4N6O — CID 130283304

IUPACN-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(N(Cc2cc(CF)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2NCC2CC2)no1
InChIInChI=1S/C26H28F4N6O/c1-15-6-23(34-37-15)36(13-19-7-18(11-27)8-21(9-19)26(28,29)30)14-20-10-22-16(2)33-35(3)25(22)32-24(20)31-12-17-4-5-17/h6-10,17H,4-5,11-14H2,1-3H3,(H,31,32)
InChIKeyKYKXJXOCXKYKSB-UHFFFAOYSA-N
MW516.54 g/mol
LogP6.09
Rot. Bonds9

About N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine

N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 130283304) has the molecular formula C26H28F4N6O and a molecular weight of 516.54 g/mol. Its IUPAC name is N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine
PubChem CID130283304
Molecular FormulaC26H28F4N6O
Molecular Weight516.54 g/mol
Exact Mass516.23
IUPAC NameN-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(N(Cc2cc(CF)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2NCC2CC2)no1
InChIInChI=1S/C26H28F4N6O/c1-15-6-23(34-37-15)36(13-19-7-18(11-27)8-21(9-19)26(28,29)30)14-20-10-22-16(2)33-35(3)25(22)32-24(20)31-12-17-4-5-17/h6-10,17H,4-5,11-14H2,1-3H3,(H,31,32)
InChIKeyKYKXJXOCXKYKSB-UHFFFAOYSA-N
XLogP6.09
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.54
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine with MolForge

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Related Compounds

1-[4-(4-Amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 132204240
7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1094029
7-(difluoromethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 654942
5-[1-[3-[5-(4-Cyclopropylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]-1,2-oxazole
CID 90005922
N-(5-methyl-3-isoxazolyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1249699
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-N-[(4-fluorophenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 178294971
N-(5-methyl-3-isoxazolyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113932
N-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine
CID 11556246
(5-{[(3,5-Bis-trifluoromethyl-benzyl)-(5-methyl-isoxazol-3-yl)-amino]-methyl}-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridin-6-yl)-cyclobutylmethyl-ethyl-amine
CID 11692839
N-[[6-(1-amino-3-cyclobutylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine
CID 57444384
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-(dicyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-5-methyl-1,2-oxazol-3-amine
CID 57444385
(5-{[(3,5-bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-methyl}-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl)-cyclopropylmethyl-amine
CID 57444438

Frequently Asked Questions

What is the IUPAC name of N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine (CID 130283304) is N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine is Cc1cc(N(Cc2cc(CF)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2NCC2CC2)no1.
What is the InChIKey of N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is KYKXJXOCXKYKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4N6O/c1-15-6-23(34-37-15)36(13-19-7-18(11-27)8-21(9-19)26(28,29)30)14-20-10-22-16(2)33-35(3)25(22)32-24(20)31-12-17-4-5-17/h6-10,17H,4-5,11-14H2,1-3H3,(H,31,32).
What are the key properties of N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine?
N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 516.54 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(cyclopropylmethylamino)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl]-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 130283304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).