2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide

C20H19F3N6O2 — CID 134197670

IUPAC2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NC(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F
InChIInChI=1S/C20H19F3N6O2/c1-19(2,3)18(30)26-16(20(21,22)23)14-11-7-6-10(9-13(11)31-29-14)25-17-15-12(27-28-17)5-4-8-24-15/h4-9,16H,1-3H3,(H,26,30)(H2,25,27,28)
InChIKeyBLSARTVEEXPMFI-UHFFFAOYSA-N
MW432.41 g/mol
LogP4.61
Rot. Bonds4

About 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide

2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide (PubChem CID 134197670) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide
PubChem CID134197670
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NC(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F
InChIInChI=1S/C20H19F3N6O2/c1-19(2,3)18(30)26-16(20(21,22)23)14-11-7-6-10(9-13(11)31-29-14)25-17-15-12(27-28-17)5-4-8-24-15/h4-9,16H,1-3H3,(H,26,30)(H2,25,27,28)
InChIKeyBLSARTVEEXPMFI-UHFFFAOYSA-N
XLogP4.61
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide with MolForge

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Related Compounds

piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
CID 134190016
3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190181
2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
CID 159340222
3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190190
2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]propanamide
CID 140837893
3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190030
N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134190101
3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190187
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
CID 134190247
3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine
CID 134190123
3-(2,2-dimethylpropyl)-4-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190012
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine
CID 134190254

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide (CID 134197670) is 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide is CC(C)(C)C(=O)NC(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide?
The InChIKey is BLSARTVEEXPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-19(2,3)18(30)26-16(20(21,22)23)14-11-7-6-10(9-13(11)31-29-14)25-17-15-12(27-28-17)5-4-8-24-15/h4-9,16H,1-3H3,(H,26,30)(H2,25,27,28).
What are the key properties of 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide?
2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide has a molecular weight of 432.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide is sourced from PubChem (CID 134197670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).