1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine

C24H27N7 — CID 143460831

IUPAC1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESC/C=C\C(=C/C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1
InChIInChI=1S/C24H27N7/c1-5-8-18(6-2)16-30-17-19(14-27-30)22-15-26-24-23(25-11-12-31(22)24)28-20-9-7-10-21(13-20)29(3)4/h5-15,17H,16H2,1-4H3,(H,25,28)/b8-5-,18-6+
InChIKeyWSVKNIIHSKHVKD-ISKVIDPMSA-N
MW413.53 g/mol
LogP4.92
Rot. Bonds7

About 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 143460831) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID143460831
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESC/C=C\C(=C/C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1
InChIInChI=1S/C24H27N7/c1-5-8-18(6-2)16-30-17-19(14-27-30)22-15-26-24-23(25-11-12-31(22)24)28-20-9-7-10-21(13-20)29(3)4/h5-15,17H,16H2,1-4H3,(H,25,28)/b8-5-,18-6+
InChIKeyWSVKNIIHSKHVKD-ISKVIDPMSA-N
XLogP4.92
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 143460831) is 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine is C/C=C\C(=C/C)Cn1cc(-c2cnc3c(Nc4cccc(N(C)C)c4)nccn23)cn1.
What is the InChIKey of 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is WSVKNIIHSKHVKD-ISKVIDPMSA-N. The full InChI is InChI=1S/C24H27N7/c1-5-8-18(6-2)16-30-17-19(14-27-30)22-15-26-24-23(25-11-12-31(22)24)28-20-9-7-10-21(13-20)29(3)4/h5-15,17H,16H2,1-4H3,(H,25,28)/b8-5-,18-6+.
What are the key properties of 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 413.53 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 143460831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).