1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide

C30H28N6O2 — CID 67311603

IUPAC1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(C(=O)NCCO)CCC2)cc1
InChIInChI=1S/C30H28N6O2/c31-26-23(8-4-17-32-26)27-35-25-14-13-24(20-6-2-1-3-7-20)34-28(25)36(27)22-11-9-21(10-12-22)30(15-5-16-30)29(38)33-18-19-37/h1-4,6-14,17,37H,5,15-16,18-19H2,(H2,31,32)(H,33,38)
InChIKeyWOTFVPPRBWOCTN-UHFFFAOYSA-N
MW504.59 g/mol
LogP4.26
Rot. Bonds7

About 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide

1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide (PubChem CID 67311603) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
PubChem CID67311603
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC Name1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(C(=O)NCCO)CCC2)cc1
InChIInChI=1S/C30H28N6O2/c31-26-23(8-4-17-32-26)27-35-25-14-13-24(20-6-2-1-3-7-20)34-28(25)36(27)22-11-9-21(10-12-22)30(15-5-16-30)29(38)33-18-19-37/h1-4,6-14,17,37H,5,15-16,18-19H2,(H2,31,32)(H,33,38)
InChIKeyWOTFVPPRBWOCTN-UHFFFAOYSA-N
XLogP4.26
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide (CID 67311603) is 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide is Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(C(=O)NCCO)CCC2)cc1.
What is the InChIKey of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
The InChIKey is WOTFVPPRBWOCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2/c31-26-23(8-4-17-32-26)27-35-25-14-13-24(20-6-2-1-3-7-20)34-28(25)36(27)22-11-9-21(10-12-22)30(15-5-16-30)29(38)33-18-19-37/h1-4,6-14,17,37H,5,15-16,18-19H2,(H2,31,32)(H,33,38).
What are the key properties of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide?
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 67311603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).