(4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone

C24H25N5O — CID 165007378

IUPAC(4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@H]2CCN(C(=O)c3cc4c(cc3C)nc(N)c3cnn(C)c34)C2)cc1
InChIInChI=1S/C24H25N5O/c1-14-4-6-16(7-5-14)17-8-9-29(13-17)24(30)18-11-19-21(10-15(18)2)27-23(25)20-12-26-28(3)22(19)20/h4-7,10-12,17H,8-9,13H2,1-3H3,(H2,25,27)/t17-/m0/s1
InChIKeyJEADVNCJFIZESB-KRWDZBQOSA-N
MW399.50 g/mol
LogP3.95
Rot. Bonds2

About (4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone

(4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 165007378) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is (4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID165007378
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name(4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@H]2CCN(C(=O)c3cc4c(cc3C)nc(N)c3cnn(C)c34)C2)cc1
InChIInChI=1S/C24H25N5O/c1-14-4-6-16(7-5-14)17-8-9-29(13-17)24(30)18-11-19-21(10-15(18)2)27-23(25)20-12-26-28(3)22(19)20/h4-7,10-12,17H,8-9,13H2,1-3H3,(H2,25,27)/t17-/m0/s1
InChIKeyJEADVNCJFIZESB-KRWDZBQOSA-N
XLogP3.95
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-7-fluoro-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 164992014
[3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92665368
4-amino-N-(6-ethynyl-2,3-dihydro-1-benzofuran-3-yl)-N,1,7-trimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 171812117
4-amino-N-cyclopropyl-1,7-dimethyl-N-[[5-(3-methyl-3-trimethylsilyloxybut-1-ynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 170694846
tert-butyl 4-[1-tert-butyl-4-[(3S)-3-(4-methylphenyl)pyrrolidine-1-carbonyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 92692459
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197
4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867164
[2-[(3R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 92638714
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 79783331
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24809686
(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 136536266
N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 146132314

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 165007378) is (4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc([C@H]2CCN(C(=O)c3cc4c(cc3C)nc(N)c3cnn(C)c34)C2)cc1.
What is the InChIKey of (4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is JEADVNCJFIZESB-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25N5O/c1-14-4-6-16(7-5-14)17-8-9-29(13-17)24(30)18-11-19-21(10-15(18)2)27-23(25)20-12-26-28(3)22(19)20/h4-7,10-12,17H,8-9,13H2,1-3H3,(H2,25,27)/t17-/m0/s1.
What are the key properties of (4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone?
(4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,7-dimethylpyrazolo[4,5-c]quinolin-8-yl)-[(3R)-3-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 165007378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).