N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine

C28H27N5 — CID 142199437

IUPACN,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine
SMILESCC1=CC=C(c2nc3cc(CN(C)C)ccn3c2-c2ccnc(-c3ccccc3)n2)C=CC1
InChIInChI=1S/C28H27N5/c1-20-8-7-11-22(13-12-20)26-27(33-17-15-21(19-32(2)3)18-25(33)31-26)24-14-16-29-28(30-24)23-9-5-4-6-10-23/h4-7,9-18H,8,19H2,1-3H3
InChIKeyZWUBOCCNKKMNOD-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.81
Rot. Bonds5

About N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine

N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine (PubChem CID 142199437) has the molecular formula C28H27N5 and a molecular weight of 433.56 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine
PubChem CID142199437
Molecular FormulaC28H27N5
Molecular Weight433.56 g/mol
Exact Mass433.23
IUPAC NameN,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine
SMILESCC1=CC=C(c2nc3cc(CN(C)C)ccn3c2-c2ccnc(-c3ccccc3)n2)C=CC1
InChIInChI=1S/C28H27N5/c1-20-8-7-11-22(13-12-20)26-27(33-17-15-21(19-32(2)3)18-25(33)31-26)24-14-16-29-28(30-24)23-9-5-4-6-10-23/h4-7,9-18H,8,19H2,1-3H3
InChIKeyZWUBOCCNKKMNOD-UHFFFAOYSA-N
XLogP5.81
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine
CID 142198805
ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 142198717
4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide
CID 142199413
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 58824460
1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 58824273
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine
CID 58824481
4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 142199127
N-(2,3-dihydro-1H-inden-1-yl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58824309
4-[7-[(dimethylamino)methyl]-2-(2-fluoro-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;ethane
CID 142199126
N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide
CID 58824430
4-[2-cyclopropyl-7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 155564932
1-[2-(4-fluorophenyl)-3-imidazo[1,2-a]pyrimidin-7-ylimidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 58824298

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine (CID 142199437) is N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine is CC1=CC=C(c2nc3cc(CN(C)C)ccn3c2-c2ccnc(-c3ccccc3)n2)C=CC1.
What is the InChIKey of N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine?
The InChIKey is ZWUBOCCNKKMNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5/c1-20-8-7-11-22(13-12-20)26-27(33-17-15-21(19-32(2)3)18-25(33)31-26)24-14-16-29-28(30-24)23-9-5-4-6-10-23/h4-7,9-18H,8,19H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine?
N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine has a molecular weight of 433.56 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)-3-(2-phenylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 142199437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).