tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate

C18H26N4O2 — CID 91004541

IUPACtert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate
SMILESCC[C@@H]1CN(c2c[nH]c3cccnc23)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H26N4O2/c1-5-13-12-21(9-10-22(13)17(23)24-18(2,3)4)15-11-20-14-7-6-8-19-16(14)15/h6-8,11,13,20H,5,9-10,12H2,1-4H3/t13-/m1/s1
InChIKeyMIAZBTNUCZNNDG-CYBMUJFWSA-N
MW330.43 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate

tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate (PubChem CID 91004541) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate
PubChem CID91004541
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nametert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate
SMILESCC[C@@H]1CN(c2c[nH]c3cccnc23)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H26N4O2/c1-5-13-12-21(9-10-22(13)17(23)24-18(2,3)4)15-11-20-14-7-6-8-19-16(14)15/h6-8,11,13,20H,5,9-10,12H2,1-4H3/t13-/m1/s1
InChIKeyMIAZBTNUCZNNDG-CYBMUJFWSA-N
XLogP3.40
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 45073090
tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate
CID 156557842
tert-butyl (2R)-4-(4-bromophenyl)-2-ethylpiperazine-1-carboxylate
CID 174086040
[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 91338910
tert-butyl 2-benzyl-4-quinolin-4-ylpiperazine-1-carboxylate
CID 24947264
tert-butyl (2R)-4-[3-[(2-bromo-1,3-thiazole-4-carbonyl)amino]-4-pyridinyl]-2-ethylpiperazine-1-carboxylate
CID 59332368
tert-butyl 4-(2-aminophenyl)-2-(hydroxymethyl)piperazine-1-carboxylate
CID 166597356
tert-butyl 2-(phenylmethoxymethyl)-4-quinolin-4-ylpiperazine-1-carboxylate
CID 24947445
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl (2R)-4-(6-chloro-5-methoxycarbonyl-2-pyridinyl)-2-ethylpiperazine-1-carboxylate
CID 140797558
2-[(3S)-3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 45073043
tert-butyl (2S)-2-ethyl-4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl (2S)-2-ethylpiperazine-1-carboxylate;methane;methyl 5-bromopyridine-2-carboxylate;hydrochloride
CID 158145270

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate (CID 91004541) is tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate is CC[C@@H]1CN(c2c[nH]c3cccnc23)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate?
The InChIKey is MIAZBTNUCZNNDG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-13-12-21(9-10-22(13)17(23)24-18(2,3)4)15-11-20-14-7-6-8-19-16(14)15/h6-8,11,13,20H,5,9-10,12H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate?
tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 91004541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).