[4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine

C23H28N6 — CID 142198805

IUPAC[4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine
SMILESCC1=CC=C(c2nc3cc(CN(C)C)ccn3c2-c2ccnc(CN)n2)CCC1
InChIInChI=1S/C23H28N6/c1-16-5-4-6-18(8-7-16)22-23(19-9-11-25-20(14-24)26-19)29-12-10-17(15-28(2)3)13-21(29)27-22/h7-13H,4-6,14-15,24H2,1-3H3
InChIKeyBDCFSDPJAJDACU-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.83
Rot. Bonds5

About [4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine

[4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine (PubChem CID 142198805) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is [4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine
PubChem CID142198805
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name[4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine
SMILESCC1=CC=C(c2nc3cc(CN(C)C)ccn3c2-c2ccnc(CN)n2)CCC1
InChIInChI=1S/C23H28N6/c1-16-5-4-6-18(8-7-16)22-23(19-9-11-25-20(14-24)26-19)29-12-10-17(15-28(2)3)13-21(29)27-22/h7-13H,4-6,14-15,24H2,1-3H3
InChIKeyBDCFSDPJAJDACU-UHFFFAOYSA-N
XLogP3.83
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine?
The IUPAC name of [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) is [4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine is CC1=CC=C(c2nc3cc(CN(C)C)ccn3c2-c2ccnc(CN)n2)CCC1.
What is the InChIKey of [4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine?
The InChIKey is BDCFSDPJAJDACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c1-16-5-4-6-18(8-7-16)22-23(19-9-11-25-20(14-24)26-19)29-12-10-17(15-28(2)3)13-21(29)27-22/h7-13H,4-6,14-15,24H2,1-3H3.
What are the key properties of [4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine?
[4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine has a molecular weight of 388.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-[(dimethylamino)methyl]-2-(4-methylcyclohepta-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]methanamine is sourced from PubChem (CID 142198805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).