7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C54H59N13O8 — CID 87889119

IUPAC7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1c(CNCC(O)CO)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.CCc1c(Cn2ccnc2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12
InChIInChI=1S/C27H27N7O3.C27H32N6O5/c1-2-20-18(15-34-11-10-29-16-34)4-3-5-22(20)31-23-21(25(28)36)14-30-27-24(23)32-26(33-27)17-6-8-19(9-7-17)37-13-12-35;1-2-20-17(12-29-13-18(36)15-35)4-3-5-22(20)31-23-21(25(28)37)14-30-27-24(23)32-26(33-27)16-6-8-19(9-7-16)38-11-10-34/h3-11,14,16,35H,2,12-13,15H2,1H3,(H2,28,36)(H2,30,31,32,33);3-9,14,18,29,34-36H,2,10-13,15H2,1H3,(H2,28,37)(H2,30,31,32,33)
InChIKeyCHJNUVFTVUXNSL-UHFFFAOYSA-N
MW1018.15 g/mol
LogP5.49
Rot. Bonds23

About 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 87889119) has the molecular formula C54H59N13O8 and a molecular weight of 1018.15 g/mol. Its IUPAC name is 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID87889119
Molecular FormulaC54H59N13O8
Molecular Weight1018.15 g/mol
Exact Mass1017.46
IUPAC Name7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1c(CNCC(O)CO)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.CCc1c(Cn2ccnc2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12
InChIInChI=1S/C27H27N7O3.C27H32N6O5/c1-2-20-18(15-34-11-10-29-16-34)4-3-5-22(20)31-23-21(25(28)36)14-30-27-24(23)32-26(33-27)17-6-8-19(9-7-17)37-13-12-35;1-2-20-17(12-29-13-18(36)15-35)4-3-5-22(20)31-23-21(25(28)37)14-30-27-24(23)32-26(33-27)16-6-8-19(9-7-16)38-11-10-34/h3-11,14,16,35H,2,12-13,15H2,1H3,(H2,28,36)(H2,30,31,32,33);3-9,14,18,29,34-36H,2,10-13,15H2,1H3,(H2,28,37)(H2,30,31,32,33)
InChIKeyCHJNUVFTVUXNSL-UHFFFAOYSA-N
XLogP5.49
TPSA322.61 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001018.15
LogP ≤ 55.49
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 87889119) is 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is CCc1c(CNCC(O)CO)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.CCc1c(Cn2ccnc2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.
What is the InChIKey of 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is CHJNUVFTVUXNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3.C27H32N6O5/c1-2-20-18(15-34-11-10-29-16-34)4-3-5-22(20)31-23-21(25(28)36)14-30-27-24(23)32-26(33-27)17-6-8-19(9-7-17)37-13-12-35;1-2-20-17(12-29-13-18(36)15-35)4-3-5-22(20)31-23-21(25(28)37)14-30-27-24(23)32-26(33-27)16-6-8-19(9-7-16)38-11-10-34/h3-11,14,16,35H,2,12-13,15H2,1H3,(H2,28,36)(H2,30,31,32,33);3-9,14,18,29,34-36H,2,10-13,15H2,1H3,(H2,28,37)(H2,30,31,32,33).
What are the key properties of 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 1018.15 g/mol, XLogP of 5.49, 23 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(2,3-dihydroxypropylamino)methyl]-2-ethylanilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-(imidazol-1-ylmethyl)anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 87889119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).