1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine

C20H26N6 — CID 129275575

IUPAC1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine
SMILESCNc1cnc2nc(N3CC[C@H](N(C)C)C3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C20H26N6/c1-21-16-11-18-19(22-12-16)23-20(25-10-9-17(14-25)24(2)3)26(18)13-15-7-5-4-6-8-15/h4-8,11-12,17,21H,9-10,13-14H2,1-3H3/t17-/m0/s1
InChIKeyKPHWRTPLEDKXHU-KRWDZBQOSA-N
MW350.47 g/mol
LogP2.66
Rot. Bonds5

About 1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine

1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine (PubChem CID 129275575) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine
PubChem CID129275575
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine
SMILESCNc1cnc2nc(N3CC[C@H](N(C)C)C3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C20H26N6/c1-21-16-11-18-19(22-12-16)23-20(25-10-9-17(14-25)24(2)3)26(18)13-15-7-5-4-6-8-15/h4-8,11-12,17,21H,9-10,13-14H2,1-3H3/t17-/m0/s1
InChIKeyKPHWRTPLEDKXHU-KRWDZBQOSA-N
XLogP2.66
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]methanol
CID 129275581
N-[(3S)-1-[1-benzyl-6-(methylamino)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-yl]acetamide
CID 129274837
N-[1-benzyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide
CID 129248512
4-[1-benzyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375800
1-[1-[(4-fluoro-3-methylphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-amine
CID 150154096
1-benzyl-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2,3-dimethylindole-5-carboxamide
CID 58866413
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80827872
8-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 129275418
2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
CID 3065666
(3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 46889258
1-[3-(chloromethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63164336
2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-5-[[2-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-methylamino]-6-oxo-1H-pyrimidin-5-yl]methyl]-1H-pyrimidin-6-one
CID 175674931

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine?
The IUPAC name of 1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine (CID 129275575) is 1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine?
The canonical SMILES for 1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine is CNc1cnc2nc(N3CC[C@H](N(C)C)C3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine?
The InChIKey is KPHWRTPLEDKXHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N6/c1-21-16-11-18-19(22-12-16)23-20(25-10-9-17(14-25)24(2)3)26(18)13-15-7-5-4-6-8-15/h4-8,11-12,17,21H,9-10,13-14H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine?
1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine has a molecular weight of 350.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylimidazo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 129275575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).