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

C20H17N7O — CID 53362079

IUPACN-[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
SMILESc1cn2cc(-c3cnc4cc[nH]c4c3)cc(Nc3cc4n(n3)CCOC4)c2n1
InChIInChI=1S/C20H17N7O/c1-2-21-17-7-13(10-23-16(1)17)14-8-18(20-22-3-4-26(20)11-14)24-19-9-15-12-28-6-5-27(15)25-19/h1-4,7-11,21H,5-6,12H2,(H,24,25)
InChIKeyGVICIFRDMKTFNW-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.35
Rot. Bonds3

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

N-[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine (PubChem CID 53362079) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[6-(1H-pyrrolo[3,2-b]pyridin-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-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
PubChem CID53362079
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC NameN-[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
SMILESc1cn2cc(-c3cnc4cc[nH]c4c3)cc(Nc3cc4n(n3)CCOC4)c2n1
InChIInChI=1S/C20H17N7O/c1-2-21-17-7-13(10-23-16(1)17)14-8-18(20-22-3-4-26(20)11-14)24-19-9-15-12-28-6-5-27(15)25-19/h1-4,7-11,21H,5-6,12H2,(H,24,25)
InChIKeyGVICIFRDMKTFNW-UHFFFAOYSA-N
XLogP3.35
TPSA85.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(1H-pyrrolo[3,2-b]pyridin-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-(1H-pyrrolo[3,2-b]pyridin-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-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine (CID 53362079) is N-[6-(1H-pyrrolo[3,2-b]pyridin-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-(1H-pyrrolo[3,2-b]pyridin-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-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine is c1cn2cc(-c3cnc4cc[nH]c4c3)cc(Nc3cc4n(n3)CCOC4)c2n1.
What is the InChIKey of N-[6-(1H-pyrrolo[3,2-b]pyridin-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 GVICIFRDMKTFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-2-21-17-7-13(10-23-16(1)17)14-8-18(20-22-3-4-26(20)11-14)24-19-9-15-12-28-6-5-27(15)25-19/h1-4,7-11,21H,5-6,12H2,(H,24,25).
What are the key properties of N-[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
N-[6-(1H-pyrrolo[3,2-b]pyridin-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 371.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-pyrrolo[3,2-b]pyridin-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 53362079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).