N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C25H29N5O2 — CID 54767665

IUPACN-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCCC(O)C#Cc1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1
InChIInChI=1S/C25H29N5O2/c1-4-21(31)12-11-20-15-30-22(14-27-24(30)23(28-20)26-13-16(2)3)17-5-7-18(8-6-17)25(32)29-19-9-10-19/h5-8,14-16,19,21,31H,4,9-10,13H2,1-3H3,(H,26,28)(H,29,32)
InChIKeyRXOIVVZPBVVMAB-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.48
Rot. Bonds7

About N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 54767665) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID54767665
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCCC(O)C#Cc1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1
InChIInChI=1S/C25H29N5O2/c1-4-21(31)12-11-20-15-30-22(14-27-24(30)23(28-20)26-13-16(2)3)17-5-7-18(8-6-17)25(32)29-19-9-10-19/h5-8,14-16,19,21,31H,4,9-10,13H2,1-3H3,(H,26,28)(H,29,32)
InChIKeyRXOIVVZPBVVMAB-UHFFFAOYSA-N
XLogP3.48
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 54767665) is N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is CCC(O)C#Cc1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1.
What is the InChIKey of N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is RXOIVVZPBVVMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-4-21(31)12-11-20-15-30-22(14-27-24(30)23(28-20)26-13-16(2)3)17-5-7-18(8-6-17)25(32)29-19-9-10-19/h5-8,14-16,19,21,31H,4,9-10,13H2,1-3H3,(H,26,28)(H,29,32).
What are the key properties of N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 431.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(3-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 54767665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).