N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine

C17H18N6 — CID 138535783

IUPACN-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccc3[nH]ncc3c2)nc2cnccn12
InChIInChI=1S/C17H18N6/c1-17(2,3)21-16-15(20-14-10-18-6-7-23(14)16)11-4-5-13-12(8-11)9-19-22-13/h4-10,21H,1-3H3,(H,19,22)
InChIKeyOGFRMNVTKYVDQS-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.48
Rot. Bonds2

About N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine

N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 138535783) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID138535783
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC NameN-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCC(C)(C)Nc1c(-c2ccc3[nH]ncc3c2)nc2cnccn12
InChIInChI=1S/C17H18N6/c1-17(2,3)21-16-15(20-14-10-18-6-7-23(14)16)11-4-5-13-12(8-11)9-19-22-13/h4-10,21H,1-3H3,(H,19,22)
InChIKeyOGFRMNVTKYVDQS-UHFFFAOYSA-N
XLogP3.48
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine (CID 138535783) is N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine is CC(C)(C)Nc1c(-c2ccc3[nH]ncc3c2)nc2cnccn12.
What is the InChIKey of N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is OGFRMNVTKYVDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-17(2,3)21-16-15(20-14-10-18-6-7-23(14)16)11-4-5-13-12(8-11)9-19-22-13/h4-10,21H,1-3H3,(H,19,22).
What are the key properties of N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine?
N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 306.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 138535783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).