2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium

C22H33N6O2Si+ — CID 144632959

IUPAC2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium
SMILESCOC1CCN(c2nccc(Nc3cc4c(ccn4COCC[SiH2+](C)C)cn3)n2)CC1
InChIInChI=1S/C22H33N6O2Si/c1-29-18-6-10-27(11-7-18)22-23-8-4-20(26-22)25-21-14-19-17(15-24-21)5-9-28(19)16-30-12-13-31(2)3/h4-5,8-9,14-15,18H,6-7,10-13,16,31H2,1-3H3,(H,23,24,25,26)/q+1
InChIKeyPAYXNWFQKPFDRN-UHFFFAOYSA-N
MW441.63 g/mol
LogP3.38
Rot. Bonds9

About 2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium

2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium (PubChem CID 144632959) has the molecular formula C22H33N6O2Si+ and a molecular weight of 441.63 g/mol. Its IUPAC name is 2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium.

Molecular Properties

Compound Name2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium
PubChem CID144632959
Molecular FormulaC22H33N6O2Si+
Molecular Weight441.63 g/mol
Exact Mass441.24
IUPAC Name2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium
SMILESCOC1CCN(c2nccc(Nc3cc4c(ccn4COCC[SiH2+](C)C)cn3)n2)CC1
InChIInChI=1S/C22H33N6O2Si/c1-29-18-6-10-27(11-7-18)22-23-8-4-20(26-22)25-21-14-19-17(15-24-21)5-9-28(19)16-30-12-13-31(2)3/h4-5,8-9,14-15,18H,6-7,10-13,16,31H2,1-3H3,(H,23,24,25,26)/q+1
InChIKeyPAYXNWFQKPFDRN-UHFFFAOYSA-N
XLogP3.38
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.63
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
CID 144632955
1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine
CID 90183495
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-2-[1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 134251295
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-methyl-2-[1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 134251283
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 86278567
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156550602
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 135157105
8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen
CID 156802140
methanethiol;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-(3-methylazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 156802118
1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine
CID 90177676
2-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-nitro-4-N-propan-2-ylpyridine-2,4-diamine
CID 90177670
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-8-[3-[(methylsulfonimidoyl)methyl]azetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 167362049

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium?
The IUPAC name of 2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium (CID 144632959) is 2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium.
What is the SMILES notation for 2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium?
The canonical SMILES for 2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium is COC1CCN(c2nccc(Nc3cc4c(ccn4COCC[SiH2+](C)C)cn3)n2)CC1.
What is the InChIKey of 2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium?
The InChIKey is PAYXNWFQKPFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N6O2Si/c1-29-18-6-10-27(11-7-18)22-23-8-4-20(26-22)25-21-14-19-17(15-24-21)5-9-28(19)16-30-12-13-31(2)3/h4-5,8-9,14-15,18H,6-7,10-13,16,31H2,1-3H3,(H,23,24,25,26)/q+1.
What are the key properties of 2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium?
2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium has a molecular weight of 441.63 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsilanylium is sourced from PubChem (CID 144632959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).