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

C19H17FN6O2 — CID 134189996

IUPAC(3-fluoropiperidin-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)C1
InChIInChI=1S/C19H17FN6O2/c20-11-3-2-8-26(10-11)19(27)16-13-6-5-12(9-15(13)28-25-16)22-18-17-14(23-24-18)4-1-7-21-17/h1,4-7,9,11H,2-3,8,10H2,(H2,22,23,24)
InChIKeyIMHDNZIVWLDKBK-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.42
Rot. Bonds3

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

(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone (PubChem CID 134189996) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is (3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
PubChem CID134189996
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name(3-fluoropiperidin-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)C1
InChIInChI=1S/C19H17FN6O2/c20-11-3-2-8-26(10-11)19(27)16-13-6-5-12(9-15(13)28-25-16)22-18-17-14(23-24-18)4-1-7-21-17/h1,4-7,9,11H,2-3,8,10H2,(H2,22,23,24)
InChIKeyIMHDNZIVWLDKBK-UHFFFAOYSA-N
XLogP3.42
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The IUPAC name of (3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone (CID 134189996) is (3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone.
What is the SMILES notation for (3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The canonical SMILES for (3-fluoropiperidin-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)C1.
What is the InChIKey of (3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The InChIKey is IMHDNZIVWLDKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-11-3-2-8-26(10-11)19(27)16-13-6-5-12(9-15(13)28-25-16)22-18-17-14(23-24-18)4-1-7-21-17/h1,4-7,9,11H,2-3,8,10H2,(H2,22,23,24).
What are the key properties of (3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone has a molecular weight of 380.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone is sourced from PubChem (CID 134189996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).