4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide

C22H22N6O — CID 164867164

IUPAC4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1ccc2c(n1)CCC2N(C)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI=1S/C22H22N6O/c1-12-4-6-14-17(25-12)8-9-19(14)27(2)22(29)13-5-7-18-15(10-13)20-16(21(23)26-18)11-24-28(20)3/h4-7,10-11,19H,8-9H2,1-3H3,(H2,23,26)
InChIKeyPYABYHACMLKZNT-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.17
Rot. Bonds2

About 4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 164867164) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID164867164
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1ccc2c(n1)CCC2N(C)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI=1S/C22H22N6O/c1-12-4-6-14-17(25-12)8-9-19(14)27(2)22(29)13-5-7-18-15(10-13)20-16(21(23)26-18)11-24-28(20)3/h4-7,10-11,19H,8-9H2,1-3H3,(H2,23,26)
InChIKeyPYABYHACMLKZNT-UHFFFAOYSA-N
XLogP3.17
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 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) is 4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide is Cc1ccc2c(n1)CCC2N(C)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1.
What is the InChIKey of 4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is PYABYHACMLKZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-12-4-6-14-17(25-12)8-9-19(14)27(2)22(29)13-5-7-18-15(10-13)20-16(21(23)26-18)11-24-28(20)3/h4-7,10-11,19H,8-9H2,1-3H3,(H2,23,26).
What are the key properties of 4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).