4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline

C19H23N5 — CID 51137037

IUPAC4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)cc1
InChIInChI=1S/C19H23N5/c1-23(2)16-7-5-14(6-8-16)12-24-11-9-15(13-24)18-21-17-4-3-10-20-19(17)22-18/h3-8,10,15H,9,11-13H2,1-2H3,(H,20,21,22)/t15-/m0/s1
InChIKeyRGPCGUJZMSSSOP-HNNXBMFYSA-N
MW321.43 g/mol
LogP3.01
Rot. Bonds4

About 4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline

4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline (PubChem CID 51137037) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline
PubChem CID51137037
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)cc1
InChIInChI=1S/C19H23N5/c1-23(2)16-7-5-14(6-8-16)12-24-11-9-15(13-24)18-21-17-4-3-10-20-19(17)22-18/h3-8,10,15H,9,11-13H2,1-2H3,(H,20,21,22)/t15-/m0/s1
InChIKeyRGPCGUJZMSSSOP-HNNXBMFYSA-N
XLogP3.01
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline (CID 51137037) is 4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)cc1.
What is the InChIKey of 4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline?
The InChIKey is RGPCGUJZMSSSOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5/c1-23(2)16-7-5-14(6-8-16)12-24-11-9-15(13-24)18-21-17-4-3-10-20-19(17)22-18/h3-8,10,15H,9,11-13H2,1-2H3,(H,20,21,22)/t15-/m0/s1.
What are the key properties of 4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline?
4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline has a molecular weight of 321.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 51137037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).