N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide

C27H28N8O — CID 155420715

IUPACN-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide
SMILESCCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)c1cn(C)c2c1C=CC(C)C2
InChIInChI=1S/C27H28N8O/c1-4-35(27(36)19-13-34(3)22-11-15(2)5-7-17(19)22)14-23-31-24-18-8-6-16(20-9-10-29-33-20)12-21(18)30-26(28)25(24)32-23/h5-10,12-13,15H,4,11,14H2,1-3H3,(H2,28,30)(H,29,33)(H,31,32)
InChIKeyWYOJNKQOFIYLMW-UHFFFAOYSA-N
MW480.58 g/mol
LogP4.29
Rot. Bonds5

About N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide

N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide (PubChem CID 155420715) has the molecular formula C27H28N8O and a molecular weight of 480.58 g/mol. Its IUPAC name is N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide
PubChem CID155420715
Molecular FormulaC27H28N8O
Molecular Weight480.58 g/mol
Exact Mass480.24
IUPAC NameN-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide
SMILESCCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)c1cn(C)c2c1C=CC(C)C2
InChIInChI=1S/C27H28N8O/c1-4-35(27(36)19-13-34(3)22-11-15(2)5-7-17(19)22)14-23-31-24-18-8-6-16(20-9-10-29-33-20)12-21(18)30-26(28)25(24)32-23/h5-10,12-13,15H,4,11,14H2,1-3H3,(H2,28,30)(H,29,33)(H,31,32)
InChIKeyWYOJNKQOFIYLMW-UHFFFAOYSA-N
XLogP4.29
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide?
The IUPAC name of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide (CID 155420715) is N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide.
What is the SMILES notation for N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide?
The canonical SMILES for N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide is CCN(Cc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12)C(=O)c1cn(C)c2c1C=CC(C)C2.
What is the InChIKey of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide?
The InChIKey is WYOJNKQOFIYLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O/c1-4-35(27(36)19-13-34(3)22-11-15(2)5-7-17(19)22)14-23-31-24-18-8-6-16(20-9-10-29-33-20)12-21(18)30-26(28)25(24)32-23/h5-10,12-13,15H,4,11,14H2,1-3H3,(H2,28,30)(H,29,33)(H,31,32).
What are the key properties of N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide?
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide has a molecular weight of 480.58 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide is sourced from PubChem (CID 155420715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).