2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H21ClN6O — CID 122413381

IUPAC2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)C1=Cc2cccc(Cl)c2NC1c1ccccc1
InChIInChI=1S/C24H21ClN6O/c1-14(28-24(32)19-22(26)30-31-12-6-11-27-23(19)31)17-13-16-9-5-10-18(25)21(16)29-20(17)15-7-3-2-4-8-15/h2-14,20,29H,1H3,(H2,26,30)(H,28,32)
InChIKeyDODGCKLZAVVCGG-UHFFFAOYSA-N
MW444.93 g/mol
LogP4.33
Rot. Bonds4

About 2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122413381) has the molecular formula C24H21ClN6O and a molecular weight of 444.93 g/mol. Its IUPAC name is 2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122413381
Molecular FormulaC24H21ClN6O
Molecular Weight444.93 g/mol
Exact Mass444.15
IUPAC Name2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)C1=Cc2cccc(Cl)c2NC1c1ccccc1
InChIInChI=1S/C24H21ClN6O/c1-14(28-24(32)19-22(26)30-31-12-6-11-27-23(19)31)17-13-16-9-5-10-18(25)21(16)29-20(17)15-7-3-2-4-8-15/h2-14,20,29H,1H3,(H2,26,30)(H,28,32)
InChIKeyDODGCKLZAVVCGG-UHFFFAOYSA-N
XLogP4.33
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.93
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-Chlorophenyl)-3-Methyl-1h-Pyrazol-5-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 70496411
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-amino-N-[3-(2,5-dichlorophenyl)-1-methyl-1H-pyrazol-4-yl]-
CID 58063117
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
5-amino-N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063225
N-[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496595
N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71459077
3-[[1-(2,6-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N,4-dimethylbenzamide
CID 23400158
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
7-(3-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N-(2-(diethylamino)ethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 45268883
7-(3-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 45273140
N-(3-(3-chlorophenyl)pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49857227
4-[(3-chloro-N-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)anilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 57398563

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122413381) is 2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)C1=Cc2cccc(Cl)c2NC1c1ccccc1.
What is the InChIKey of 2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DODGCKLZAVVCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O/c1-14(28-24(32)19-22(26)30-31-12-6-11-27-23(19)31)17-13-16-9-5-10-18(25)21(16)29-20(17)15-7-3-2-4-8-15/h2-14,20,29H,1H3,(H2,26,30)(H,28,32).
What are the key properties of 2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 444.93 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(8-chloro-2-phenyl-1,2-dihydroquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122413381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).