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

C19H16F2N6O2 — CID 134190019

IUPAC(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
SMILESO=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC(F)(F)C1
InChIInChI=1S/C19H16F2N6O2/c20-19(21)6-2-8-27(10-19)18(28)15-12-5-4-11(9-14(12)29-26-15)23-17-16-13(24-25-17)3-1-7-22-16/h1,3-5,7,9H,2,6,8,10H2,(H2,23,24,25)
InChIKeyAYWFDTBYDXBNKK-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.71
Rot. Bonds3

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

(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone (PubChem CID 134190019) has the molecular formula C19H16F2N6O2 and a molecular weight of 398.37 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
PubChem CID134190019
Molecular FormulaC19H16F2N6O2
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC Name(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
SMILESO=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC(F)(F)C1
InChIInChI=1S/C19H16F2N6O2/c20-19(21)6-2-8-27(10-19)18(28)15-12-5-4-11(9-14(12)29-26-15)23-17-16-13(24-25-17)3-1-7-22-16/h1,3-5,7,9H,2,6,8,10H2,(H2,23,24,25)
InChIKeyAYWFDTBYDXBNKK-UHFFFAOYSA-N
XLogP3.71
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone (CID 134190019) is (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone is O=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The InChIKey is AYWFDTBYDXBNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O2/c20-19(21)6-2-8-27(10-19)18(28)15-12-5-4-11(9-14(12)29-26-15)23-17-16-13(24-25-17)3-1-7-22-16/h1,3-5,7,9H,2,6,8,10H2,(H2,23,24,25).
What are the key properties of (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone has a molecular weight of 398.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone is sourced from PubChem (CID 134190019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).