3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine

C18H19N7 — CID 46240951

IUPAC3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1
InChIInChI=1S/C18H19N7/c1-23(2)15-6-4-5-14(9-15)22-17-18-20-11-16(25(18)8-7-19-17)13-10-21-24(3)12-13/h4-12H,1-3H3,(H,19,22)
InChIKeyVZGMQXHFGYGCHX-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.94
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine (PubChem CID 46240951) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
PubChem CID46240951
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1
InChIInChI=1S/C18H19N7/c1-23(2)15-6-4-5-14(9-15)22-17-18-20-11-16(25(18)8-7-19-17)13-10-21-24(3)12-13/h4-12H,1-3H3,(H,19,22)
InChIKeyVZGMQXHFGYGCHX-UHFFFAOYSA-N
XLogP2.94
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine (CID 46240951) is 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine is CN(C)c1cccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?
The InChIKey is VZGMQXHFGYGCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-23(2)15-6-4-5-14(9-15)22-17-18-20-11-16(25(18)8-7-19-17)13-10-21-24(3)12-13/h4-12H,1-3H3,(H,19,22).
What are the key properties of 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine has a molecular weight of 333.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine is sourced from PubChem (CID 46240951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).