tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

C32H37N7O2 — CID 144847080

IUPACtert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCN1CN(C2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2c1cnc1ccc(-c3ccc(-c4cnn(C)c4)nc3)cc21
InChIInChI=1S/C32H37N7O2/c1-32(2,3)41-31(40)39-23-8-9-24(39)14-25(13-23)38-19-36(4)29-17-34-28-11-6-20(12-26(28)30(29)38)21-7-10-27(33-15-21)22-16-35-37(5)18-22/h6-7,10-12,15-18,23-25H,8-9,13-14,19H2,1-5H3
InChIKeyHPZBIAZYMHOVBF-UHFFFAOYSA-N
MW551.70 g/mol
LogP5.84
Rot. Bonds3

About tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 144847080) has the molecular formula C32H37N7O2 and a molecular weight of 551.70 g/mol. Its IUPAC name is tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID144847080
Molecular FormulaC32H37N7O2
Molecular Weight551.70 g/mol
Exact Mass551.30
IUPAC Nametert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCN1CN(C2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2c1cnc1ccc(-c3ccc(-c4cnn(C)c4)nc3)cc21
InChIInChI=1S/C32H37N7O2/c1-32(2,3)41-31(40)39-23-8-9-24(39)14-25(13-23)38-19-36(4)29-17-34-28-11-6-20(12-26(28)30(29)38)21-7-10-27(33-15-21)22-16-35-37(5)18-22/h6-7,10-12,15-18,23-25H,8-9,13-14,19H2,1-5H3
InChIKeyHPZBIAZYMHOVBF-UHFFFAOYSA-N
XLogP5.84
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.70
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

Tert-butyl 4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 57406219
2-Methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 73977461
2-[4-[3-methyl-2-oxo-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]acetonitrile
CID 162643652
3-methyl-1-piperidin-4-yl-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 162659728
tert-butyl 4-[3-methyl-2-oxo-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate
CID 162662197
tert-butyl 4-[2-oxo-8-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxylate
CID 162667812
Tert-butyl 4-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]piperidine-1-carboxylate
CID 162674550
2-[4-[8-(1,3-Dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 162677414
1-(1-Acetylpiperidin-4-yl)-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379565
1-(1-Acetylpiperidin-4-yl)-3-methyl-8-(3-pyrazol-1-ylphenyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379611
3-Methyl-1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]-8-(1-methylpyrazol-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379649
3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101792

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 144847080) is tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate is CN1CN(C2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2c1cnc1ccc(-c3ccc(-c4cnn(C)c4)nc3)cc21.
What is the InChIKey of tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is HPZBIAZYMHOVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O2/c1-32(2,3)41-31(40)39-23-8-9-24(39)14-25(13-23)38-19-36(4)29-17-34-28-11-6-20(12-26(28)30(29)38)21-7-10-27(33-15-21)22-16-35-37(5)18-22/h6-7,10-12,15-18,23-25H,8-9,13-14,19H2,1-5H3.
What are the key properties of tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 551.70 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2H-imidazo[4,5-c]quinolin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 144847080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).