5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid

C15H16N6O2 — CID 70660809

IUPAC5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1nc2nc(C(=O)O)[nH]c2nc1-c1cccnc1
InChIInChI=1S/C15H16N6O2/c1-8(2)21(3)14-10(9-5-4-6-16-7-9)17-11-12(20-14)19-13(18-11)15(22)23/h4-8H,1-3H3,(H,22,23)(H,17,18,19,20)
InChIKeyQGSBCIYBONOYPN-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.96
Rot. Bonds4

About 5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid

5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid (PubChem CID 70660809) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid
PubChem CID70660809
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1nc2nc(C(=O)O)[nH]c2nc1-c1cccnc1
InChIInChI=1S/C15H16N6O2/c1-8(2)21(3)14-10(9-5-4-6-16-7-9)17-11-12(20-14)19-13(18-11)15(22)23/h4-8H,1-3H3,(H,22,23)(H,17,18,19,20)
InChIKeyQGSBCIYBONOYPN-UHFFFAOYSA-N
XLogP1.96
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid (CID 70660809) is 5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid is CC(C)N(C)c1nc2nc(C(=O)O)[nH]c2nc1-c1cccnc1.
What is the InChIKey of 5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid?
The InChIKey is QGSBCIYBONOYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-8(2)21(3)14-10(9-5-4-6-16-7-9)17-11-12(20-14)19-13(18-11)15(22)23/h4-8H,1-3H3,(H,22,23)(H,17,18,19,20).
What are the key properties of 5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid?
5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(propan-2-yl)amino]-6-pyridin-3-yl-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid is sourced from PubChem (CID 70660809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).