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

C19H18N6O2 — CID 134190016

IUPACpiperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
SMILESO=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1
InChIInChI=1S/C19H18N6O2/c26-19(25-9-2-1-3-10-25)16-13-7-6-12(11-15(13)27-24-16)21-18-17-14(22-23-18)5-4-8-20-17/h4-8,11H,1-3,9-10H2,(H2,21,22,23)
InChIKeyXVUPHFLWBDEIPI-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.47
Rot. Bonds3

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

piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone (PubChem CID 134190016) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
PubChem CID134190016
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Namepiperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
SMILESO=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCCCC1
InChIInChI=1S/C19H18N6O2/c26-19(25-9-2-1-3-10-25)16-13-7-6-12(11-15(13)27-24-16)21-18-17-14(22-23-18)5-4-8-20-17/h4-8,11H,1-3,9-10H2,(H2,21,22,23)
InChIKeyXVUPHFLWBDEIPI-UHFFFAOYSA-N
XLogP3.47
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone (CID 134190016) is piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The canonical SMILES for piperidin-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)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
The InChIKey is XVUPHFLWBDEIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c26-19(25-9-2-1-3-10-25)16-13-7-6-12(11-15(13)27-24-16)21-18-17-14(22-23-18)5-4-8-20-17/h4-8,11H,1-3,9-10H2,(H2,21,22,23).
What are the key properties of piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone?
piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone has a molecular weight of 362.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone is sourced from PubChem (CID 134190016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).