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

C25H29N5O2 — CID 54767664

IUPACN-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CNc1nc(C#CCC(C)O)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C25H29N5O2/c1-16(2)13-26-23-24-27-14-22(30(24)15-21(28-23)6-4-5-17(3)31)18-7-9-19(10-8-18)25(32)29-20-11-12-20/h7-10,14-17,20,31H,5,11-13H2,1-3H3,(H,26,28)(H,29,32)
InChIKeyGBCFLGAIDRSQPU-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.48
Rot. Bonds7

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

N-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 54767664) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID54767664
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CNc1nc(C#CCC(C)O)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C25H29N5O2/c1-16(2)13-26-23-24-27-14-22(30(24)15-21(28-23)6-4-5-17(3)31)18-7-9-19(10-8-18)25(32)29-20-11-12-20/h7-10,14-17,20,31H,5,11-13H2,1-3H3,(H,26,28)(H,29,32)
InChIKeyGBCFLGAIDRSQPU-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'}

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Related Compounds

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CID 25138267
N-cyclopropyl-4-{8-[(2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
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PF-06372222
CID 68178630
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CID 123773279
4-[6-benzyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 57382738
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
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US9758524, Example 93
CID 71607919

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 54767664) is N-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is CC(C)CNc1nc(C#CCC(C)O)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is GBCFLGAIDRSQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-16(2)13-26-23-24-27-14-22(30(24)15-21(28-23)6-4-5-17(3)31)18-7-9-19(10-8-18)25(32)29-20-11-12-20/h7-10,14-17,20,31H,5,11-13H2,1-3H3,(H,26,28)(H,29,32).
What are the key properties of N-cyclopropyl-4-[6-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-(4-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-(4-hydroxypent-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 54767664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).