2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide

C21H22ClN7O — CID 66822082

IUPAC2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1nc2c(Cl)cccc2cc1[C@H](C)Nc1ccnc2ccnn12
InChIInChI=1S/C21H22ClN7O/c1-13(26-18-7-9-24-17-8-10-25-29(17)18)15-11-14-5-4-6-16(22)20(14)27-21(15)28(3)12-19(30)23-2/h4-11,13,26H,12H2,1-3H3,(H,23,30)/t13-/m0/s1
InChIKeyONAOCEFUAPAMGC-ZDUSSCGKSA-N
MW423.91 g/mol
LogP3.29
Rot. Bonds6

About 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide

2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide (PubChem CID 66822082) has the molecular formula C21H22ClN7O and a molecular weight of 423.91 g/mol. Its IUPAC name is 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide
PubChem CID66822082
Molecular FormulaC21H22ClN7O
Molecular Weight423.91 g/mol
Exact Mass423.16
IUPAC Name2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1nc2c(Cl)cccc2cc1[C@H](C)Nc1ccnc2ccnn12
InChIInChI=1S/C21H22ClN7O/c1-13(26-18-7-9-24-17-8-10-25-29(17)18)15-11-14-5-4-6-16(22)20(14)27-21(15)28(3)12-19(30)23-2/h4-11,13,26H,12H2,1-3H3,(H,23,30)/t13-/m0/s1
InChIKeyONAOCEFUAPAMGC-ZDUSSCGKSA-N
XLogP3.29
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.91
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 132274772
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 60198589
7-[(3-Chlorophenyl)methyl]-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129116708
Adenosine receptor antagonist 1
CID 156821369
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
3-(3-chlorophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 44524414
2-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 122177113
1-[(3R)-3-[4-amino-3-(1-methylindol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 137348469
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 137348710
N-{(1s)-1-[8-Chloro-2-(2-Methylpyridin-3-Yl)quinolin-3-Yl]ethyl}-9h-Purin-6-Amine
CID 25071294
3-(4-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1835852
1-(4-(7-Amino-3-(4-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)-3-(2-chlorophenyl)urea
CID 24857629

Frequently Asked Questions

What is the IUPAC name of 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide (CID 66822082) is 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1nc2c(Cl)cccc2cc1[C@H](C)Nc1ccnc2ccnn12.
What is the InChIKey of 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide?
The InChIKey is ONAOCEFUAPAMGC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22ClN7O/c1-13(26-18-7-9-24-17-8-10-25-29(17)18)15-11-14-5-4-6-16(22)20(14)27-21(15)28(3)12-19(30)23-2/h4-11,13,26H,12H2,1-3H3,(H,23,30)/t13-/m0/s1.
What are the key properties of 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide?
2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide has a molecular weight of 423.91 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-chloro-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]quinolin-2-yl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 66822082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).