N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

C19H21N5O — CID 75395212

IUPACN-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)CN1Cc2cccc(NC(=O)c3cn4cccnc4n3)c2C1
InChIInChI=1S/C19H21N5O/c1-13(2)9-23-10-14-5-3-6-16(15(14)11-23)21-18(25)17-12-24-8-4-7-20-19(24)22-17/h3-8,12-13H,9-11H2,1-2H3,(H,21,25)
InChIKeyDGGTXZYCEVHIDH-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.95
Rot. Bonds4

About N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 75395212) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID75395212
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCC(C)CN1Cc2cccc(NC(=O)c3cn4cccnc4n3)c2C1
InChIInChI=1S/C19H21N5O/c1-13(2)9-23-10-14-5-3-6-16(15(14)11-23)21-18(25)17-12-24-8-4-7-20-19(24)22-17/h3-8,12-13H,9-11H2,1-2H3,(H,21,25)
InChIKeyDGGTXZYCEVHIDH-UHFFFAOYSA-N
XLogP2.95
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 166181450
N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111480679
N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 95615858
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 131903838
N-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 134711278
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74245856
N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111472086
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 94176071
(3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 124596685
2-(3-fluoro-2-nitrophenyl)-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]acetamide
CID 146095622
4-(aminomethyl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]benzamide
CID 119872415
2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide
CID 84597830

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 75395212) is N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is CC(C)CN1Cc2cccc(NC(=O)c3cn4cccnc4n3)c2C1.
What is the InChIKey of N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is DGGTXZYCEVHIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(2)9-23-10-14-5-3-6-16(15(14)11-23)21-18(25)17-12-24-8-4-7-20-19(24)22-17/h3-8,12-13H,9-11H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 75395212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).