1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine

C22H25N7O — CID 146382096

IUPAC1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine
SMILESCOC1CN(Cc2nc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3n2C2CCC2)C1
InChIInChI=1S/C22H25N7O/c1-30-15-10-28(11-15)12-19-26-20-21(29(19)14-3-2-4-14)16-6-5-13(17-7-8-24-27-17)9-18(16)25-22(20)23/h5-9,14-15H,2-4,10-12H2,1H3,(H2,23,25)(H,24,27)
InChIKeyJTSAIBHFRWHHKB-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.11
Rot. Bonds5

About 1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine

1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 146382096) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine
PubChem CID146382096
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine
SMILESCOC1CN(Cc2nc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3n2C2CCC2)C1
InChIInChI=1S/C22H25N7O/c1-30-15-10-28(11-15)12-19-26-20-21(29(19)14-3-2-4-14)16-6-5-13(17-7-8-24-27-17)9-18(16)25-22(20)23/h5-9,14-15H,2-4,10-12H2,1H3,(H2,23,25)(H,24,27)
InChIKeyJTSAIBHFRWHHKB-UHFFFAOYSA-N
XLogP3.11
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine
CID 160996932
1-[(3S)-3-[4-amino-1-ethyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]propan-1-one
CID 165369187
1-[(3S)-3-[4-amino-1-ethyl-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 169316726
7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 165369174
3-methyl-11-(1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 146253403
1-[(2S)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 169316681
2-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-4-amine
CID 161291199
1-[(3R)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 169316740
7-(1H-pyrazol-5-yl)-2-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-c]quinolin-4-amine
CID 165369144
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 154649378
(3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol
CID 137417600
1-[3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 170313063

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine (CID 146382096) is 1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine is COC1CN(Cc2nc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3n2C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is JTSAIBHFRWHHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-30-15-10-28(11-15)12-19-26-20-21(29(19)14-3-2-4-14)16-6-5-13(17-7-8-24-27-17)9-18(16)25-22(20)23/h5-9,14-15H,2-4,10-12H2,1H3,(H2,23,25)(H,24,27).
What are the key properties of 1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine?
1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 403.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[(3-methoxyazetidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 146382096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).