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

C32H32N6O2 — CID 58345200

IUPACtert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1
InChIInChI=1S/C32H32N6O2/c1-31(2,3)40-30(39)37-32(18-8-19-32)22-12-14-23(15-13-22)38-28(24-11-7-20-34-27(24)33)36-26-17-16-25(35-29(26)38)21-9-5-4-6-10-21/h4-7,9-17,20H,8,18-19H2,1-3H3,(H2,33,34)(H,37,39)
InChIKeyHGTSUVNSZKWZRS-UHFFFAOYSA-N
MW532.65 g/mol
LogP6.64
Rot. Bonds5

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

tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate (PubChem CID 58345200) has the molecular formula C32H32N6O2 and a molecular weight of 532.65 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
PubChem CID58345200
Molecular FormulaC32H32N6O2
Molecular Weight532.65 g/mol
Exact Mass532.26
IUPAC Nametert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1
InChIInChI=1S/C32H32N6O2/c1-31(2,3)40-30(39)37-32(18-8-19-32)22-12-14-23(15-13-22)38-28(24-11-7-20-34-27(24)33)36-26-17-16-25(35-29(26)38)21-9-5-4-6-10-21/h4-7,9-17,20H,8,18-19H2,1-3H3,(H2,33,34)(H,37,39)
InChIKeyHGTSUVNSZKWZRS-UHFFFAOYSA-N
XLogP6.64
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate (CID 58345200) is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[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-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1.
What is the InChIKey of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
The InChIKey is HGTSUVNSZKWZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O2/c1-31(2,3)40-30(39)37-32(18-8-19-32)22-12-14-23(15-13-22)38-28(24-11-7-20-34-27(24)33)36-26-17-16-25(35-29(26)38)21-9-5-4-6-10-21/h4-7,9-17,20H,8,18-19H2,1-3H3,(H2,33,34)(H,37,39).
What are the key properties of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 532.65 g/mol, XLogP of 6.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 58345200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).