5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine

C25H26N6 — CID 142523023

IUPAC5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine
SMILESC=C(NC)c1nc(-c2cccc3c(N)cccc23)n2c1CN(C(=C)c1ccc[nH]1)CC2
InChIInChI=1S/C25H26N6/c1-16(27-3)24-23-15-30(17(2)22-11-6-12-28-22)13-14-31(23)25(29-24)20-9-4-8-19-18(20)7-5-10-21(19)26/h4-12,27-28H,1-2,13-15,26H2,3H3
InChIKeyHLUNDWZKFJCOPS-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.29
Rot. Bonds5

About 5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine

5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine (PubChem CID 142523023) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine.

Molecular Properties

Compound Name5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine
PubChem CID142523023
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine
SMILESC=C(NC)c1nc(-c2cccc3c(N)cccc23)n2c1CN(C(=C)c1ccc[nH]1)CC2
InChIInChI=1S/C25H26N6/c1-16(27-3)24-23-15-30(17(2)22-11-6-12-28-22)13-14-31(23)25(29-24)20-9-4-8-19-18(20)7-5-10-21(19)26/h4-12,27-28H,1-2,13-15,26H2,3H3
InChIKeyHLUNDWZKFJCOPS-UHFFFAOYSA-N
XLogP4.29
TPSA74.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine?
The IUPAC name of 5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine (CID 142523023) is 5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine.
What is the SMILES notation for 5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine?
The canonical SMILES for 5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine is C=C(NC)c1nc(-c2cccc3c(N)cccc23)n2c1CN(C(=C)c1ccc[nH]1)CC2.
What is the InChIKey of 5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine?
The InChIKey is HLUNDWZKFJCOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c1-16(27-3)24-23-15-30(17(2)22-11-6-12-28-22)13-14-31(23)25(29-24)20-9-4-8-19-18(20)7-5-10-21(19)26/h4-12,27-28H,1-2,13-15,26H2,3H3.
What are the key properties of 5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine?
5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine has a molecular weight of 410.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[1-(methylamino)ethenyl]-7-[1-(1H-pyrrol-2-yl)ethenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]naphthalen-1-amine is sourced from PubChem (CID 142523023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).