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

C29H27FN6 — CID 58824309

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NC4CCc5ccccc54)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C29H27FN6/c1-35(2)18-19-14-16-36-26(17-19)34-27(21-7-10-22(30)11-8-21)28(36)25-13-15-31-29(33-25)32-24-12-9-20-5-3-4-6-23(20)24/h3-8,10-11,13-17,24H,9,12,18H2,1-2H3,(H,31,32,33)
InChIKeyQUQZDPCFVZYCOK-UHFFFAOYSA-N
MW478.58 g/mol
LogP5.76
Rot. Bonds6

About 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

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 (PubChem CID 58824309) has the molecular formula C29H27FN6 and a molecular weight of 478.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID58824309
Molecular FormulaC29H27FN6
Molecular Weight478.58 g/mol
Exact Mass478.23
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccn2c(-c3ccnc(NC4CCc5ccccc54)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C29H27FN6/c1-35(2)18-19-14-16-36-26(17-19)34-27(21-7-10-22(30)11-8-21)28(36)25-13-15-31-29(33-25)32-24-12-9-20-5-3-4-6-23(20)24/h3-8,10-11,13-17,24H,9,12,18H2,1-2H3,(H,31,32,33)
InChIKeyQUQZDPCFVZYCOK-UHFFFAOYSA-N
XLogP5.76
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.58
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)Cc1ccn2c(-c3ccnc(NC4CCc5ccccc54)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 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?
The InChIKey is QUQZDPCFVZYCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6/c1-35(2)18-19-14-16-36-26(17-19)34-27(21-7-10-22(30)11-8-21)28(36)25-13-15-31-29(33-25)32-24-12-9-20-5-3-4-6-23(20)24/h3-8,10-11,13-17,24H,9,12,18H2,1-2H3,(H,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 478.58 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58824309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).