tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate

C23H28N6O2 — CID 91598292

IUPACtert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1c[nH]c2cnccc12)n1cc(CCN)c2ccncc21
InChIInChI=1S/C23H28N6O2/c1-23(2,3)31-22(30)28(11-7-16-12-27-20-13-25-9-5-18(16)20)29-15-17(4-8-24)19-6-10-26-14-21(19)29/h5-6,9-10,12-15,27H,4,7-8,11,24H2,1-3H3
InChIKeyFWVJDJAHRSSYFR-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.53
Rot. Bonds6

About tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate

tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate (PubChem CID 91598292) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate
PubChem CID91598292
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Nametert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1c[nH]c2cnccc12)n1cc(CCN)c2ccncc21
InChIInChI=1S/C23H28N6O2/c1-23(2,3)31-22(30)28(11-7-16-12-27-20-13-25-9-5-18(16)20)29-15-17(4-8-24)19-6-10-26-14-21(19)29/h5-6,9-10,12-15,27H,4,7-8,11,24H2,1-3H3
InChIKeyFWVJDJAHRSSYFR-UHFFFAOYSA-N
XLogP3.53
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[(Z)-1,1-bis(1H-indol-3-yl)propan-2-ylideneamino]carbamate
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tert-butyl 4-(1H-indol-3-yl)-4-(1-methylindol-3-yl)piperidine-1-carboxylate
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tert-butyl 3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)indole-1-carboxylate
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Tert-butyl ((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)carbamate
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1,1-Dimethylethyl 4-(1H-pyrrolo[3,2-b]pyridin-7-yl)-1-piperazinecarboxylate
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CID 67255664
tert-butyl 3-(5-(5-(2,6-difluorophenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl)pyridin-3-ylamino)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate (CID 91598292) is tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)N(CCc1c[nH]c2cnccc12)n1cc(CCN)c2ccncc21.
What is the InChIKey of tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate?
The InChIKey is FWVJDJAHRSSYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-23(2,3)31-22(30)28(11-7-16-12-27-20-13-25-9-5-18(16)20)29-15-17(4-8-24)19-6-10-26-14-21(19)29/h5-6,9-10,12-15,27H,4,7-8,11,24H2,1-3H3.
What are the key properties of tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate?
tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate has a molecular weight of 420.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-aminoethyl)pyrrolo[2,3-c]pyridin-1-yl]-N-[2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethyl]carbamate is sourced from PubChem (CID 91598292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).