tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate

C35H38N8O3 — CID 123859143

IUPACtert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(N6CCOCC6)n5)nc43)cc2)CCC1
InChIInChI=1S/C35H38N8O3/c1-34(2,3)46-33(44)41-35(16-6-17-35)23-10-12-24(13-11-23)43-31(25-7-5-18-37-30(25)36)40-28-15-14-27(39-32(28)43)26-8-4-9-29(38-26)42-19-21-45-22-20-42/h4-5,7-15,18H,6,16-17,19-22H2,1-3H3,(H2,36,37)(H,41,44)
InChIKeyPJRKLJQYGBFUCC-UHFFFAOYSA-N
MW618.74 g/mol
LogP5.87
Rot. Bonds6

About tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate (PubChem CID 123859143) has the molecular formula C35H38N8O3 and a molecular weight of 618.74 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
PubChem CID123859143
Molecular FormulaC35H38N8O3
Molecular Weight618.74 g/mol
Exact Mass618.31
IUPAC Nametert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(N6CCOCC6)n5)nc43)cc2)CCC1
InChIInChI=1S/C35H38N8O3/c1-34(2,3)46-33(44)41-35(16-6-17-35)23-10-12-24(13-11-23)43-31(25-7-5-18-37-30(25)36)40-28-15-14-27(39-32(28)43)26-8-4-9-29(38-26)42-19-21-45-22-20-42/h4-5,7-15,18H,6,16-17,19-22H2,1-3H3,(H2,36,37)(H,41,44)
InChIKeyPJRKLJQYGBFUCC-UHFFFAOYSA-N
XLogP5.87
TPSA133.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.74
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate with MolForge

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Related Compounds

Vevorisertib
CID 71138858
1-[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-4-ylurea
CID 44187604
1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-3-ylurea
CID 44187783
1-(4-(3-cyclopropyl-7-morpholino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl)-3-(pyridin-4-yl)urea
CID 44188840
1-[4-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-phenyl]-3-pyridin-4-yl-urea
CID 44188842
1-[4-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-phenyl]-3-pyridin-3-yl-urea
CID 44188843
methyl 4-(4-(2-methylmorpholino)-6-(4-(3-pyridin-3-ylureido)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
CID 44605791
1-(4-(3-cyclopropyl-7-morpholino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl)-3-(pyridin-3-yl)urea
CID 44819199
4-[[4-(2-Methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine
CID 146315950
1-[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-(2-methylpyridin-4-yl)urea
CID 44187779
ethyl 4-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate
CID 44431998
1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}phenyl)-3-pyridin-3-ylurea
CID 44600952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate (CID 123859143) is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[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-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(N6CCOCC6)n5)nc43)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The InChIKey is PJRKLJQYGBFUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N8O3/c1-34(2,3)46-33(44)41-35(16-6-17-35)23-10-12-24(13-11-23)43-31(25-7-5-18-37-30(25)36)40-28-15-14-27(39-32(28)43)26-8-4-9-29(38-26)42-19-21-45-22-20-42/h4-5,7-15,18H,6,16-17,19-22H2,1-3H3,(H2,36,37)(H,41,44).
What are the key properties of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 618.74 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-(6-morpholin-4-yl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 123859143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).