tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate

C18H23N3O2 — CID 69207799

IUPACtert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC=C(c2cnc3[nH]ccc3c2)CC1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-15-6-4-12(5-7-15)14-10-13-8-9-19-16(13)20-11-14/h4,8-11,15H,5-7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyUOUXKNRUXFNPMQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.02
Rot. Bonds2

About tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate

tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate (PubChem CID 69207799) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate
PubChem CID69207799
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC=C(c2cnc3[nH]ccc3c2)CC1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-15-6-4-12(5-7-15)14-10-13-8-9-19-16(13)20-11-14/h4,8-11,15H,5-7H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyUOUXKNRUXFNPMQ-UHFFFAOYSA-N
XLogP4.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(6-oxo-1H-pyrimidin-4-yl)cyclohex-3-en-1-yl]carbamate
CID 167436725
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CID 99645986
tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
CID 86671106
tert-butyl N-[4-(3-trimethylstannylthieno[2,3-b]pyrazin-6-yl)cyclohex-3-en-1-yl]carbamate
CID 177038410
tert-butyl N-[4-(5-bromo-1,3,4-thiadiazol-2-yl)cyclohex-3-en-1-yl]carbamate
CID 146393483
tert-butyl N-[4-[4-(4-amino-2-cyclopropylsulfonylphenyl)-2-pyridinyl]cyclohex-3-en-1-yl]carbamate
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tert-butyl 4-[2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90034216
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
CID 155668994
tert-butyl N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]carbamate
CID 71128770
tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate
CID 134551040
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]boronic acid
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tert-butyl N-[1-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-ynyl]cyclopropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate (CID 69207799) is tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate is CC(C)(C)OC(=O)NC1CC=C(c2cnc3[nH]ccc3c2)CC1.
What is the InChIKey of tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate?
The InChIKey is UOUXKNRUXFNPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-15-6-4-12(5-7-15)14-10-13-8-9-19-16(13)20-11-14/h4,8-11,15H,5-7H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate?
tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate is sourced from PubChem (CID 69207799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).