[(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C24H22N8O — CID 169316724

IUPAC[(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nc(C[C@H]3CCCN3C(=O)c3ccccn3)[nH]c12
InChIInChI=1S/C24H22N8O/c25-23-22-21(16-7-6-14(12-19(16)28-23)17-8-10-27-31-17)29-20(30-22)13-15-4-3-11-32(15)24(33)18-5-1-2-9-26-18/h1-2,5-10,12,15H,3-4,11,13H2,(H2,25,28)(H,27,31)(H,29,30)/t15-/m1/s1
InChIKeyQPIKBBRUWUOMMF-OAHLLOKOSA-N
MW438.50 g/mol
LogP3.33
Rot. Bonds4

About [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 169316724) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID169316724
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name[(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2nc(C[C@H]3CCCN3C(=O)c3ccccn3)[nH]c12
InChIInChI=1S/C24H22N8O/c25-23-22-21(16-7-6-14(12-19(16)28-23)17-8-10-27-31-17)29-20(30-22)13-15-4-3-11-32(15)24(33)18-5-1-2-9-26-18/h1-2,5-10,12,15H,3-4,11,13H2,(H2,25,28)(H,27,31)(H,29,30)/t15-/m1/s1
InChIKeyQPIKBBRUWUOMMF-OAHLLOKOSA-N
XLogP3.33
TPSA129.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

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
tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate
CID 165369182
7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 165369174
2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride
CID 156756381
[(3S)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 169316737
tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 162153556
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
[2-(2-chloroethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 55187043
[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 94801467
4-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-2-yl]-1-pyridin-4-ylbutan-1-one
CID 159117214
7-(1H-pyrazol-5-yl)-2-[2-(pyridin-2-ylamino)ethyl]pyrazolo[3,4-c]quinolin-4-amine
CID 155679567
(2-amino-1,3-thiazol-4-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 62786689

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 169316724) is [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is Nc1nc2cc(-c3ccn[nH]3)ccc2c2nc(C[C@H]3CCCN3C(=O)c3ccccn3)[nH]c12.
What is the InChIKey of [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is QPIKBBRUWUOMMF-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22N8O/c25-23-22-21(16-7-6-14(12-19(16)28-23)17-8-10-27-31-17)29-20(30-22)13-15-4-3-11-32(15)24(33)18-5-1-2-9-26-18/h1-2,5-10,12,15H,3-4,11,13H2,(H2,25,28)(H,27,31)(H,29,30)/t15-/m1/s1.
What are the key properties of [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 438.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 169316724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).