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

C19H23N5O2S — CID 155599684

IUPACtert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2c(-c3nccs3)cnc3[nH]ccc23)C1
InChIInChI=1S/C19H23N5O2S/c1-19(2,3)26-18(25)24-12-8-11(9-12)23-15-13-4-5-20-16(13)22-10-14(15)17-21-6-7-27-17/h4-7,10-12H,8-9H2,1-3H3,(H,24,25)(H2,20,22,23)
InChIKeyCVAXEIFAZFFNKD-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.15
Rot. Bonds4

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

tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate (PubChem CID 155599684) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate
PubChem CID155599684
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Nametert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Nc2c(-c3nccs3)cnc3[nH]ccc23)C1
InChIInChI=1S/C19H23N5O2S/c1-19(2,3)26-18(25)24-12-8-11(9-12)23-15-13-4-5-20-16(13)22-10-14(15)17-21-6-7-27-17/h4-7,10-12H,8-9H2,1-3H3,(H,24,25)(H2,20,22,23)
InChIKeyCVAXEIFAZFFNKD-UHFFFAOYSA-N
XLogP4.15
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate (CID 155599684) is tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Nc2c(-c3nccs3)cnc3[nH]ccc23)C1.
What is the InChIKey of tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate?
The InChIKey is CVAXEIFAZFFNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-19(2,3)26-18(25)24-12-8-11(9-12)23-15-13-4-5-20-16(13)22-10-14(15)17-21-6-7-27-17/h4-7,10-12H,8-9H2,1-3H3,(H,24,25)(H2,20,22,23).
What are the key properties of tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate?
tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate has a molecular weight of 385.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[5-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 155599684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).