N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

C48H54Cl2N10O4 — CID 87963064

IUPACN-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESClc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1NC1CCCC1.Clc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1NCc1ccccc1
InChIInChI=1S/C25H26ClN5O2.C23H28ClN5O2/c26-21-17-28-25-23(22(21)27-16-18-4-2-1-3-5-18)29-24(30-25)19-6-8-20(9-7-19)33-15-12-31-10-13-32-14-11-31;24-19-15-25-23-21(20(19)26-17-3-1-2-4-17)27-22(28-23)16-5-7-18(8-6-16)31-14-11-29-9-12-30-13-10-29/h1-9,17H,10-16H2,(H2,27,28,29,30);5-8,15,17H,1-4,9-14H2,(H2,25,26,27,28)
InChIKeySSIFZJALHGDESM-UHFFFAOYSA-N
MW905.93 g/mol
LogP8.95
Rot. Bonds15

About N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 87963064) has the molecular formula C48H54Cl2N10O4 and a molecular weight of 905.93 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID87963064
Molecular FormulaC48H54Cl2N10O4
Molecular Weight905.93 g/mol
Exact Mass904.37
IUPAC NameN-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESClc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1NC1CCCC1.Clc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1NCc1ccccc1
InChIInChI=1S/C25H26ClN5O2.C23H28ClN5O2/c26-21-17-28-25-23(22(21)27-16-18-4-2-1-3-5-18)29-24(30-25)19-6-8-20(9-7-19)33-15-12-31-10-13-32-14-11-31;24-19-15-25-23-21(20(19)26-17-3-1-2-4-17)27-22(28-23)16-5-7-18(8-6-16)31-14-11-29-9-12-30-13-10-29/h1-9,17H,10-16H2,(H2,27,28,29,30);5-8,15,17H,1-4,9-14H2,(H2,25,26,27,28)
InChIKeySSIFZJALHGDESM-UHFFFAOYSA-N
XLogP8.95
TPSA150.60 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.93
LogP ≤ 58.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 87963064) is N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is Clc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1NC1CCCC1.Clc1cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c2c1NCc1ccccc1.
What is the InChIKey of N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is SSIFZJALHGDESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2.C23H28ClN5O2/c26-21-17-28-25-23(22(21)27-16-18-4-2-1-3-5-18)29-24(30-25)19-6-8-20(9-7-19)33-15-12-31-10-13-32-14-11-31;24-19-15-25-23-21(20(19)26-17-3-1-2-4-17)27-22(28-23)16-5-7-18(8-6-16)31-14-11-29-9-12-30-13-10-29/h1-9,17H,10-16H2,(H2,27,28,29,30);5-8,15,17H,1-4,9-14H2,(H2,25,26,27,28).
What are the key properties of N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 905.93 g/mol, XLogP of 8.95, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine;6-chloro-N-cyclopentyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 87963064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).