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

C24H27N5O2 — CID 54767663

IUPACN-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(O)C#Cc1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1
InChIInChI=1S/C24H27N5O2/c1-15(2)12-25-22-23-26-13-21(29(23)14-20(27-22)9-4-16(3)30)17-5-7-18(8-6-17)24(31)28-19-10-11-19/h5-8,13-16,19,30H,10-12H2,1-3H3,(H,25,27)(H,28,31)
InChIKeyUEDDSSFXCLDVKS-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.09
Rot. Bonds6

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

N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 54767663) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID54767663
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(O)C#Cc1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1
InChIInChI=1S/C24H27N5O2/c1-15(2)12-25-22-23-26-13-21(29(23)14-20(27-22)9-4-16(3)30)17-5-7-18(8-6-17)24(31)28-19-10-11-19/h5-8,13-16,19,30H,10-12H2,1-3H3,(H,25,27)(H,28,31)
InChIKeyUEDDSSFXCLDVKS-UHFFFAOYSA-N
XLogP3.09
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.09
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

N-cyclopropyl-4-[6-[(3R)-3-hydroxyoct-1-ynyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 122164748
N-cyclopropyl-4-[6-[(3S)-3-hydroxyoct-1-ynyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 54765592
N-cyclopropyl-4-[6-(4-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 54767493
6-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-2-methylhex-5-ynoic acid
CID 118387181
methyl 6-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]hex-5-ynoate
CID 54765593
N-cyclopropyl-4-[6-(4-ethenylphenyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57407262
N-cyclopropyl-4-[6-(3-hydroxypropyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90123415
N-cyclopropyl-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976869
4-[6-cyclohex-3-en-1-yl-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 57406874
2-chloro-N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 90256484
N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57406684
4-[6-(1-benzofuran-2-yl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 57383166

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 54767663) is N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is CC(O)C#Cc1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1.
What is the InChIKey of N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is UEDDSSFXCLDVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15(2)12-25-22-23-26-13-21(29(23)14-20(27-22)9-4-16(3)30)17-5-7-18(8-6-17)24(31)28-19-10-11-19/h5-8,13-16,19,30H,10-12H2,1-3H3,(H,25,27)(H,28,31).
What are the key properties of N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-(3-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.09, 6 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-hydroxybut-1-ynyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 54767663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).