N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide

C22H21Cl2N7O — CID 171803207

IUPACN-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide
SMILESCC(=O)NC(CNc1cc(-c2ccc3cnc(C)n3c2)nc(N)n1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H21Cl2N7O/c1-12-26-9-15-7-6-14(11-31(12)15)18-8-20(30-22(25)29-18)27-10-19(28-13(2)32)16-4-3-5-17(23)21(16)24/h3-9,11,19H,10H2,1-2H3,(H,28,32)(H3,25,27,29,30)
InChIKeyKPVMCUAHWSYCCH-UHFFFAOYSA-N
MW470.36 g/mol
LogP4.28
Rot. Bonds6

About N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide

N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide (PubChem CID 171803207) has the molecular formula C22H21Cl2N7O and a molecular weight of 470.36 g/mol. Its IUPAC name is N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide
PubChem CID171803207
Molecular FormulaC22H21Cl2N7O
Molecular Weight470.36 g/mol
Exact Mass469.12
IUPAC NameN-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide
SMILESCC(=O)NC(CNc1cc(-c2ccc3cnc(C)n3c2)nc(N)n1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H21Cl2N7O/c1-12-26-9-15-7-6-14(11-31(12)15)18-8-20(30-22(25)29-18)27-10-19(28-13(2)32)16-4-3-5-17(23)21(16)24/h3-9,11,19H,10H2,1-2H3,(H,28,32)(H3,25,27,29,30)
InChIKeyKPVMCUAHWSYCCH-UHFFFAOYSA-N
XLogP4.28
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
CID 10052040
Diphenyl purine derivative 2
CID 72713199
Otenabant hydrochloride
CID 16223963
Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
Diphenyl purine derivative 4
CID 72712999
Diphenyl purine derivative 5
CID 72713196
Diphenyl purine derivative 3
CID 72713197
Bms-279700
CID 9844320
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
N-Desethyl otenabant
CID 10480380
N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 67387753

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide?
The IUPAC name of N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide (CID 171803207) is N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide is CC(=O)NC(CNc1cc(-c2ccc3cnc(C)n3c2)nc(N)n1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide?
The InChIKey is KPVMCUAHWSYCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N7O/c1-12-26-9-15-7-6-14(11-31(12)15)18-8-20(30-22(25)29-18)27-10-19(28-13(2)32)16-4-3-5-17(23)21(16)24/h3-9,11,19H,10H2,1-2H3,(H,28,32)(H3,25,27,29,30).
What are the key properties of N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide?
N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide has a molecular weight of 470.36 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 171803207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).