tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate

C30H35N7O3 — CID 71142487

IUPACtert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(N5CCOCC5)nc43)cc2)CCC1
InChIInChI=1S/C30H35N7O3/c1-29(2,3)40-28(38)35-30(13-5-14-30)20-7-9-21(10-8-20)37-26(22-6-4-15-32-25(22)31)33-23-11-12-24(34-27(23)37)36-16-18-39-19-17-36/h4,6-12,15H,5,13-14,16-19H2,1-3H3,(H2,31,32)(H,35,38)
InChIKeyHRGGGQHNUUCAMX-UHFFFAOYSA-N
MW541.66 g/mol
LogP4.81
Rot. Bonds5

About tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate (PubChem CID 71142487) has the molecular formula C30H35N7O3 and a molecular weight of 541.66 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
PubChem CID71142487
Molecular FormulaC30H35N7O3
Molecular Weight541.66 g/mol
Exact Mass541.28
IUPAC Nametert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(N5CCOCC5)nc43)cc2)CCC1
InChIInChI=1S/C30H35N7O3/c1-29(2,3)40-28(38)35-30(13-5-14-30)20-7-9-21(10-8-20)37-26(22-6-4-15-32-25(22)31)33-23-11-12-24(34-27(23)37)36-16-18-39-19-17-36/h4,6-12,15H,5,13-14,16-19H2,1-3H3,(H2,31,32)(H,35,38)
InChIKeyHRGGGQHNUUCAMX-UHFFFAOYSA-N
XLogP4.81
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.66
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate (CID 71142487) is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(N5CCOCC5)nc43)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The InChIKey is HRGGGQHNUUCAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O3/c1-29(2,3)40-28(38)35-30(13-5-14-30)20-7-9-21(10-8-20)37-26(22-6-4-15-32-25(22)31)33-23-11-12-24(34-27(23)37)36-16-18-39-19-17-36/h4,6-12,15H,5,13-14,16-19H2,1-3H3,(H2,31,32)(H,35,38).
What are the key properties of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 541.66 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 71142487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).