(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

C65H62Cl2IN21O7 — CID 158616100

IUPAC(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCn1cnc2c(Cl)cc(I)nc21.Nc1ccc(C(=O)N2CCOCC2)cn1.[C-]#[N+]c1cc(CC)c(O)cn1.[C-]#[N+]c1cc(CC)c(Oc2cc(Cl)c3ncn(C)c3n2)cn1.[C-]#[N+]c1cc(CC)c(Oc2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3ncn(C)c3n2)cn1
InChIInChI=1S/C25H24N8O3.C15H12ClN5O.C10H13N3O2.C8H8N2O.C7H5ClIN3/c1-4-16-11-21(26-2)28-14-19(16)36-22-12-18(23-24(31-22)32(3)15-29-23)30-20-6-5-17(13-27-20)25(34)33-7-9-35-10-8-33;1-4-9-5-12(17-2)18-7-11(9)22-13-6-10(16)14-15(20-13)21(3)8-19-14;11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;1-3-6-4-8(9-2)10-5-7(6)11;1-12-3-10-6-4(8)2-5(9)11-7(6)12/h5-6,11-15H,4,7-10H2,1,3H3,(H,27,30,31);5-8H,4H2,1,3H3;1-2,7H,3-6H2,(H2,11,12);4-5,11H,3H2,1H3;2-3H,1H3
InChIKeyHXKFXOYDAYZEDB-UHFFFAOYSA-N
MW1447.16 g/mol
LogP12.06
Rot. Bonds11

About (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 158616100) has the molecular formula C65H62Cl2IN21O7 and a molecular weight of 1447.16 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID158616100
Molecular FormulaC65H62Cl2IN21O7
Molecular Weight1447.16 g/mol
Exact Mass1445.36
IUPAC Name(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCn1cnc2c(Cl)cc(I)nc21.Nc1ccc(C(=O)N2CCOCC2)cn1.[C-]#[N+]c1cc(CC)c(O)cn1.[C-]#[N+]c1cc(CC)c(Oc2cc(Cl)c3ncn(C)c3n2)cn1.[C-]#[N+]c1cc(CC)c(Oc2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3ncn(C)c3n2)cn1
InChIInChI=1S/C25H24N8O3.C15H12ClN5O.C10H13N3O2.C8H8N2O.C7H5ClIN3/c1-4-16-11-21(26-2)28-14-19(16)36-22-12-18(23-24(31-22)32(3)15-29-23)30-20-6-5-17(13-27-20)25(34)33-7-9-35-10-8-33;1-4-9-5-12(17-2)18-7-11(9)22-13-6-10(16)14-15(20-13)21(3)8-19-14;11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;1-3-6-4-8(9-2)10-5-7(6)11;1-12-3-10-6-4(8)2-5(9)11-7(6)12/h5-6,11-15H,4,7-10H2,1,3H3,(H,27,30,31);5-8H,4H2,1,3H3;1-2,7H,3-6H2,(H2,11,12);4-5,11H,3H2,1H3;2-3H,1H3
InChIKeyHXKFXOYDAYZEDB-UHFFFAOYSA-N
XLogP12.06
TPSA305.48 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001447.16
LogP ≤ 512.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

4-Methyl-5-[3-methyl-7-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138560059
4-Methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138571643
5-[7-[[5-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
CID 138571716
5-[7-[[5-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
CID 138560219
5-[7-[[5-(3-Fluoro-4-hydroxypyrrolidine-1-carbonyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
CID 138560220
5-[7-[[5-[(3R,4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
CID 138560221
4-Methyl-5-[3-methyl-7-[[5-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridin-2-yl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138571655
5-[7-[[5-(3-Fluoro-4-methoxypyrrolidine-1-carbonyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile
CID 150077190
CID 157058178
CID 157058178
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
CID 157439724
7-chloro-3-propan-2-ylimidazo[1,2-a]pyridine;7-(difluoromethyl)-3-propan-2-ylimidazo[1,2-a]pyridine;7,8-dimethyl-3-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-2-(3-propan-2-ylimidazo[1,2-a]pyridin-7-yl)oxyethanamine;N-ethyl-3-propan-2-ylimidazo[1,2-a]pyridine-7-carboxamide;7-fluoro-3-propan-2-ylimidazo[1,2-a]pyridine;8-fluoro-3-propan-2-ylimidazo[1,2-a]pyridine;7-isocyano-3-propan-2-ylimidazo[1,2-a]pyridine;N-(2-methoxyethyl)-3-propan-2-ylimidazo[1,2-a]pyridin-7-amine;7-methoxy-3-propan-2-ylimidazo[1,2-a]pyridine;8-methoxy-3-propan-2-ylimidazo[1,2-a]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;8-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine-8-carbonitrile;(3-propan-2-ylimidazo[1,2-a]pyridin-7-yl)methanol;2-(3-propan-2-ylimidazo[1,2-a]pyridin-7-yl)oxyethanol;3-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159048940
[(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-[6-[[5-[(6-isocyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]methanone
CID 159876266

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 158616100) is (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is Cn1cnc2c(Cl)cc(I)nc21.Nc1ccc(C(=O)N2CCOCC2)cn1.[C-]#[N+]c1cc(CC)c(O)cn1.[C-]#[N+]c1cc(CC)c(Oc2cc(Cl)c3ncn(C)c3n2)cn1.[C-]#[N+]c1cc(CC)c(Oc2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c3ncn(C)c3n2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is HXKFXOYDAYZEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O3.C15H12ClN5O.C10H13N3O2.C8H8N2O.C7H5ClIN3/c1-4-16-11-21(26-2)28-14-19(16)36-22-12-18(23-24(31-22)32(3)15-29-23)30-20-6-5-17(13-27-20)25(34)33-7-9-35-10-8-33;1-4-9-5-12(17-2)18-7-11(9)22-13-6-10(16)14-15(20-13)21(3)8-19-14;11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13;1-3-6-4-8(9-2)10-5-7(6)11;1-12-3-10-6-4(8)2-5(9)11-7(6)12/h5-6,11-15H,4,7-10H2,1,3H3,(H,27,30,31);5-8H,4H2,1,3H3;1-2,7H,3-6H2,(H2,11,12);4-5,11H,3H2,1H3;2-3H,1H3.
What are the key properties of (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
(6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 1447.16 g/mol, XLogP of 12.06, 11 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-morpholin-4-ylmethanone;7-chloro-5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridine;7-chloro-5-iodo-3-methylimidazo[4,5-b]pyridine;4-ethyl-6-isocyanopyridin-3-ol;[6-[[5-[(4-ethyl-6-isocyano-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158616100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).