3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine

C27H23ClN6 — CID 58345164

IUPAC3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine
SMILESNc1ncc(Cl)cc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C27H23ClN6/c28-19-15-21(24(29)31-16-19)25-33-23-12-11-22(17-5-2-1-3-6-17)32-26(23)34(25)20-9-7-18(8-10-20)27(30)13-4-14-27/h1-3,5-12,15-16H,4,13-14,30H2,(H2,29,31)
InChIKeyRRFJMIQBKSGBIU-UHFFFAOYSA-N
MW466.98 g/mol
LogP5.72
Rot. Bonds4

About 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine

3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine (PubChem CID 58345164) has the molecular formula C27H23ClN6 and a molecular weight of 466.98 g/mol. Its IUPAC name is 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine
PubChem CID58345164
Molecular FormulaC27H23ClN6
Molecular Weight466.98 g/mol
Exact Mass466.17
IUPAC Name3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine
SMILESNc1ncc(Cl)cc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C27H23ClN6/c28-19-15-21(24(29)31-16-19)25-33-23-12-11-22(17-5-2-1-3-6-17)32-26(23)34(25)20-9-7-18(8-10-20)27(30)13-4-14-27/h1-3,5-12,15-16H,4,13-14,30H2,(H2,29,31)
InChIKeyRRFJMIQBKSGBIU-UHFFFAOYSA-N
XLogP5.72
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.98
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine?
The IUPAC name of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine (CID 58345164) is 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine.
What is the SMILES notation for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine?
The canonical SMILES for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine is Nc1ncc(Cl)cc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine?
The InChIKey is RRFJMIQBKSGBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6/c28-19-15-21(24(29)31-16-19)25-33-23-12-11-22(17-5-2-1-3-6-17)32-26(23)34(25)20-9-7-18(8-10-20)27(30)13-4-14-27/h1-3,5-12,15-16H,4,13-14,30H2,(H2,29,31).
What are the key properties of 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine?
3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine has a molecular weight of 466.98 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]-5-chloropyridin-2-amine is sourced from PubChem (CID 58345164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).