N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine

C21H20N6O2 — CID 53390643

IUPACN-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
SMILESc1cn2cc(-c3ccc4c(c3)NCCO4)cc(Nc3cc4n(n3)CCOC4)c2n1
InChIInChI=1S/C21H20N6O2/c1-2-19-17(22-4-7-29-19)9-14(1)15-10-18(21-23-3-5-26(21)12-15)24-20-11-16-13-28-8-6-27(16)25-20/h1-3,5,9-12,22H,4,6-8,13H2,(H,24,25)
InChIKeyGBBHSMOHDUTCDP-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.28
Rot. Bonds3

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

N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine (PubChem CID 53390643) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
PubChem CID53390643
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
SMILESc1cn2cc(-c3ccc4c(c3)NCCO4)cc(Nc3cc4n(n3)CCOC4)c2n1
InChIInChI=1S/C21H20N6O2/c1-2-19-17(22-4-7-29-19)9-14(1)15-10-18(21-23-3-5-26(21)12-15)24-20-11-16-13-28-8-6-27(16)25-20/h1-3,5,9-12,22H,4,6-8,13H2,(H,24,25)
InChIKeyGBBHSMOHDUTCDP-UHFFFAOYSA-N
XLogP3.28
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The IUPAC name of N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine (CID 53390643) is N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine.
What is the SMILES notation for N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The canonical SMILES for N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine is c1cn2cc(-c3ccc4c(c3)NCCO4)cc(Nc3cc4n(n3)CCOC4)c2n1.
What is the InChIKey of N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The InChIKey is GBBHSMOHDUTCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-2-19-17(22-4-7-29-19)9-14(1)15-10-18(21-23-3-5-26(21)12-15)24-20-11-16-13-28-8-6-27(16)25-20/h1-3,5,9-12,22H,4,6-8,13H2,(H,24,25).
What are the key properties of N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine has a molecular weight of 388.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine is sourced from PubChem (CID 53390643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).