7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C63H73N13O8 — CID 87892174

IUPAC7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1c(CN2CCN(CCO)CC2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.CCc1c(CN[C@H](CO)Cc2ccccc2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12
InChIInChI=1S/C33H36N6O4.C30H37N7O4/c1-2-26-23(18-35-24(20-41)17-21-7-4-3-5-8-21)9-6-10-28(26)37-29-27(31(34)42)19-36-33-30(29)38-32(39-33)22-11-13-25(14-12-22)43-16-15-40;1-2-23-21(19-37-12-10-36(11-13-37)14-15-38)4-3-5-25(23)33-26-24(28(31)40)18-32-30-27(26)34-29(35-30)20-6-8-22(9-7-20)41-17-16-39/h3-14,19,24,35,40-41H,2,15-18,20H2,1H3,(H2,34,42)(H2,36,37,38,39);3-9,18,38-39H,2,10-17,19H2,1H3,(H2,31,40)(H2,32,33,34,35)/t24-;/m0./s1
InChIKeyLFPVNUKOSWGKAW-JIDHJSLPSA-N
MW1140.36 g/mol
LogP6.60
Rot. Bonds26

About 7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 87892174) has the molecular formula C63H73N13O8 and a molecular weight of 1140.36 g/mol. Its IUPAC name is 7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID87892174
Molecular FormulaC63H73N13O8
Molecular Weight1140.36 g/mol
Exact Mass1139.57
IUPAC Name7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1c(CN2CCN(CCO)CC2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.CCc1c(CN[C@H](CO)Cc2ccccc2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12
InChIInChI=1S/C33H36N6O4.C30H37N7O4/c1-2-26-23(18-35-24(20-41)17-21-7-4-3-5-8-21)9-6-10-28(26)37-29-27(31(34)42)19-36-33-30(29)38-32(39-33)22-11-13-25(14-12-22)43-16-15-40;1-2-23-21(19-37-12-10-36(11-13-37)14-15-38)4-3-5-25(23)33-26-24(28(31)40)18-32-30-27(26)34-29(35-30)20-6-8-22(9-7-20)41-17-16-39/h3-14,19,24,35,40-41H,2,15-18,20H2,1H3,(H2,34,42)(H2,36,37,38,39);3-9,18,38-39H,2,10-17,19H2,1H3,(H2,31,40)(H2,32,33,34,35)/t24-;/m0./s1
InChIKeyLFPVNUKOSWGKAW-JIDHJSLPSA-N
XLogP6.60
TPSA311.27 Ų
H-Bond Donors11
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001140.36
LogP ≤ 56.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1017

Analyze 7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]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-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 87892174) is 7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is CCc1c(CN2CCN(CCO)CC2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.CCc1c(CN[C@H](CO)Cc2ccccc2)cccc1Nc1c(C(N)=O)cnc2nc(-c3ccc(OCCO)cc3)[nH]c12.
What is the InChIKey of 7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is LFPVNUKOSWGKAW-JIDHJSLPSA-N. The full InChI is InChI=1S/C33H36N6O4.C30H37N7O4/c1-2-26-23(18-35-24(20-41)17-21-7-4-3-5-8-21)9-6-10-28(26)37-29-27(31(34)42)19-36-33-30(29)38-32(39-33)22-11-13-25(14-12-22)43-16-15-40;1-2-23-21(19-37-12-10-36(11-13-37)14-15-38)4-3-5-25(23)33-26-24(28(31)40)18-32-30-27(26)34-29(35-30)20-6-8-22(9-7-20)41-17-16-39/h3-14,19,24,35,40-41H,2,15-18,20H2,1H3,(H2,34,42)(H2,36,37,38,39);3-9,18,38-39H,2,10-17,19H2,1H3,(H2,31,40)(H2,32,33,34,35)/t24-;/m0./s1.
What are the key properties of 7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 1140.36 g/mol, XLogP of 6.60, 26 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-ethyl-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide;7-[2-ethyl-3-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]anilino]-2-[4-(2-hydroxyethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 87892174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).