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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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).