(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone

C20H19FN6O2 — CID 134190040

IUPAC(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
SMILESCC1(F)CCN(C(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C20H19FN6O2/c1-20(21)6-9-27(10-7-20)19(28)16-13-5-4-12(11-15(13)29-26-16)23-18-17-14(24-25-18)3-2-8-22-17/h2-5,8,11H,6-7,9-10H2,1H3,(H2,23,24,25)
InChIKeyHJKOTELELQFQKU-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.81
Rot. Bonds3

About (4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone

(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone (PubChem CID 134190040) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is (4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
PubChem CID134190040
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
SMILESCC1(F)CCN(C(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C20H19FN6O2/c1-20(21)6-9-27(10-7-20)19(28)16-13-5-4-12(11-15(13)29-26-16)23-18-17-14(24-25-18)3-2-8-22-17/h2-5,8,11H,6-7,9-10H2,1H3,(H2,23,24,25)
InChIKeyHJKOTELELQFQKU-UHFFFAOYSA-N
XLogP3.81
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The IUPAC name of (4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone (CID 134190040) is (4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone.
What is the SMILES notation for (4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The canonical SMILES for (4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone is CC1(F)CCN(C(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.
What is the InChIKey of (4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The InChIKey is HJKOTELELQFQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-20(21)6-9-27(10-7-20)19(28)16-13-5-4-12(11-15(13)29-26-16)23-18-17-14(24-25-18)3-2-8-22-17/h2-5,8,11H,6-7,9-10H2,1H3,(H2,23,24,25).
What are the key properties of (4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone has a molecular weight of 394.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone is sourced from PubChem (CID 134190040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).