tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate

C20H31N5O2 — CID 118207783

IUPACtert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate
SMILESCCC(N)c1nc2ccn(C)c2cc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H31N5O2/c1-6-14(21)18-17(13-16-15(22-18)7-8-23(16)5)24-9-11-25(12-10-24)19(26)27-20(2,3)4/h7-8,13-14H,6,9-12,21H2,1-5H3
InChIKeyHAJOZBDZPNBMDU-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.04
Rot. Bonds3

About tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate

tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate (PubChem CID 118207783) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate
PubChem CID118207783
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Nametert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate
SMILESCCC(N)c1nc2ccn(C)c2cc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H31N5O2/c1-6-14(21)18-17(13-16-15(22-18)7-8-23(16)5)24-9-11-25(12-10-24)19(26)27-20(2,3)4/h7-8,13-14H,6,9-12,21H2,1-5H3
InChIKeyHAJOZBDZPNBMDU-UHFFFAOYSA-N
XLogP3.04
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-[1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]propyl]-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate
CID 123305761
tert-butyl 4-[5-[(1S)-1-[(5-cyano-6-ethyl-2-methylsulfonylpyrimidin-4-yl)amino]ethyl]-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate
CID 118214766
tert-butyl 4-[5-[[(2,6-diamino-5-cyanopyrimidin-4-yl)amino]methyl]-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate;ethane
CID 144886010
tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane
CID 142622902
tert-butyl 4-[2-(1-aminopropyl)-5-chloro-4-oxoquinazolin-3-yl]piperazine-1-carboxylate
CID 118572146
tert-butyl 4-[[5-[(1S)-1-[(2-amino-5-cyano-6-methylpyrimidin-4-yl)amino]ethyl]-1-methylpyrrolo[3,2-b]pyridin-6-yl]amino]piperidine-1-carboxylate
CID 118214760
tert-butyl 4-[2-(aminomethyl)-3-chlorophenyl]piperazine-1-carboxylate
CID 104933388
tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
CID 177057091
tert-butyl 4-(6-pentan-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849691
tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 177246071
tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 177246070
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate (CID 118207783) is tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate is CCC(N)c1nc2ccn(C)c2cc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate?
The InChIKey is HAJOZBDZPNBMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-6-14(21)18-17(13-16-15(22-18)7-8-23(16)5)24-9-11-25(12-10-24)19(26)27-20(2,3)4/h7-8,13-14H,6,9-12,21H2,1-5H3.
What are the key properties of tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate?
tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(1-aminopropyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate is sourced from PubChem (CID 118207783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).