N-[5-methyl-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

C21H19N7O — CID 53390564

IUPACN-[5-methyl-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
SMILESCc1c(-c2cnc3cc[nH]c3c2)cc(Nc2cc3n(n2)CCOC3)c2nccn12
InChIInChI=1S/C21H19N7O/c1-13-16(14-8-18-17(24-11-14)2-3-22-18)10-19(21-23-4-5-27(13)21)25-20-9-15-12-29-7-6-28(15)26-20/h2-5,8-11,22H,6-7,12H2,1H3,(H,25,26)
InChIKeyHZTAVSLVUIIUGL-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.66
Rot. Bonds3

About N-[5-methyl-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-[5-methyl-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 53390564) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[5-methyl-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-[5-methyl-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 CID53390564
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-[5-methyl-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
SMILESCc1c(-c2cnc3cc[nH]c3c2)cc(Nc2cc3n(n2)CCOC3)c2nccn12
InChIInChI=1S/C21H19N7O/c1-13-16(14-8-18-17(24-11-14)2-3-22-18)10-19(21-23-4-5-27(13)21)25-20-9-15-12-29-7-6-28(15)26-20/h2-5,8-11,22H,6-7,12H2,1H3,(H,25,26)
InChIKeyHZTAVSLVUIIUGL-UHFFFAOYSA-N
XLogP3.66
TPSA85.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-methyl-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-[5-methyl-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-[5-methyl-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 53390564) is N-[5-methyl-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-[5-methyl-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-[5-methyl-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 Cc1c(-c2cnc3cc[nH]c3c2)cc(Nc2cc3n(n2)CCOC3)c2nccn12.
What is the InChIKey of N-[5-methyl-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 HZTAVSLVUIIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-13-16(14-8-18-17(24-11-14)2-3-22-18)10-19(21-23-4-5-27(13)21)25-20-9-15-12-29-7-6-28(15)26-20/h2-5,8-11,22H,6-7,12H2,1H3,(H,25,26).
What are the key properties of N-[5-methyl-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-[5-methyl-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 385.43 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-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 53390564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).