2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol

C23H22N6O2 — CID 53390640

IUPAC2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol
SMILESOCCc1c[nH]c2cc(-c3cc(Nc4cc5n(n4)CCOC5)c4nccn4c3)ccc12
InChIInChI=1S/C23H22N6O2/c30-7-3-16-12-25-20-9-15(1-2-19(16)20)17-10-21(23-24-4-5-28(23)13-17)26-22-11-18-14-31-8-6-29(18)27-22/h1-2,4-5,9-13,25,30H,3,6-8,14H2,(H,26,27)
InChIKeyUJLCAUDXTUPBJP-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.49
Rot. Bonds5

About 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol

2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol (PubChem CID 53390640) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol
PubChem CID53390640
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol
SMILESOCCc1c[nH]c2cc(-c3cc(Nc4cc5n(n4)CCOC5)c4nccn4c3)ccc12
InChIInChI=1S/C23H22N6O2/c30-7-3-16-12-25-20-9-15(1-2-19(16)20)17-10-21(23-24-4-5-28(23)13-17)26-22-11-18-14-31-8-6-29(18)27-22/h1-2,4-5,9-13,25,30H,3,6-8,14H2,(H,26,27)
InChIKeyUJLCAUDXTUPBJP-UHFFFAOYSA-N
XLogP3.49
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol (CID 53390640) is 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol is OCCc1c[nH]c2cc(-c3cc(Nc4cc5n(n4)CCOC5)c4nccn4c3)ccc12.
What is the InChIKey of 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol?
The InChIKey is UJLCAUDXTUPBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-7-3-16-12-25-20-9-15(1-2-19(16)20)17-10-21(23-24-4-5-28(23)13-17)26-22-11-18-14-31-8-6-29(18)27-22/h1-2,4-5,9-13,25,30H,3,6-8,14H2,(H,26,27).
What are the key properties of 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol?
2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol has a molecular weight of 414.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)imidazo[1,2-a]pyridin-6-yl]-1H-indol-3-yl]ethanol is sourced from PubChem (CID 53390640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).