2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde

C114H101F3N20O4 — CID 159236012

IUPAC2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde
SMILESFc1cccnc1CNc1nccc2oc(CCNCCC3=NC(c4ccccc4)=CC3)nc12.Fc1cccnc1CNc1nccc2oc(CCNCCc3nc(-c4ccccc4)cn3C(c3ccccc3)(c3ccccc3)c3ccccc3)nc12.NCCc1nc2c(NCc3ncccc3F)nccc2o1.O=CCc1nc(-c2ccccc2)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H38FN7O.C30H24N2O.C26H25FN6O.C14H14FN5O/c45-36-22-13-26-47-37(36)30-49-43-42-39(23-29-48-43)53-41(51-42)25-28-46-27-24-40-50-38(32-14-5-1-6-15-32)31-52(40)44(33-16-7-2-8-17-33,34-18-9-3-10-19-34)35-20-11-4-12-21-35;33-22-21-29-31-28(24-13-5-1-6-14-24)23-32(29)30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;27-20-7-4-13-29-22(20)17-31-26-25-23(11-16-30-26)34-24(33-25)12-15-28-14-10-19-8-9-21(32-19)18-5-2-1-3-6-18;15-9-2-1-6-17-10(9)8-19-14-13-11(4-7-18-14)21-12(20-13)3-5-16/h1-23,26,29,31,46H,24-25,27-28,30H2,(H,48,49);1-20,22-23H,21H2;1-7,9,11,13,16,28H,8,10,12,14-15,17H2,(H,30,31);1-2,4,6-7H,3,5,8,16H2,(H,18,19)
InChIKeyKTMBBGZUBHUXLH-UHFFFAOYSA-N
MW1872.19 g/mol
LogP21.23
Rot. Bonds36

About 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde

2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde (PubChem CID 159236012) has the molecular formula C114H101F3N20O4 and a molecular weight of 1872.19 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde
PubChem CID159236012
Molecular FormulaC114H101F3N20O4
Molecular Weight1872.19 g/mol
Exact Mass1870.83
IUPAC Name2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde
SMILESFc1cccnc1CNc1nccc2oc(CCNCCC3=NC(c4ccccc4)=CC3)nc12.Fc1cccnc1CNc1nccc2oc(CCNCCc3nc(-c4ccccc4)cn3C(c3ccccc3)(c3ccccc3)c3ccccc3)nc12.NCCc1nc2c(NCc3ncccc3F)nccc2o1.O=CCc1nc(-c2ccccc2)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H38FN7O.C30H24N2O.C26H25FN6O.C14H14FN5O/c45-36-22-13-26-47-37(36)30-49-43-42-39(23-29-48-43)53-41(51-42)25-28-46-27-24-40-50-38(32-14-5-1-6-15-32)31-52(40)44(33-16-7-2-8-17-33,34-18-9-3-10-19-34)35-20-11-4-12-21-35;33-22-21-29-31-28(24-13-5-1-6-14-24)23-32(29)30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;27-20-7-4-13-29-22(20)17-31-26-25-23(11-16-30-26)34-24(33-25)12-15-28-14-10-19-8-9-21(32-19)18-5-2-1-3-6-18;15-9-2-1-6-17-10(9)8-19-14-13-11(4-7-18-14)21-12(20-13)3-5-16/h1-23,26,29,31,46H,24-25,27-28,30H2,(H,48,49);1-20,22-23H,21H2;1-7,9,11,13,16,28H,8,10,12,14-15,17H2,(H,30,31);1-2,4,6-7H,3,5,8,16H2,(H,18,19)
InChIKeyKTMBBGZUBHUXLH-UHFFFAOYSA-N
XLogP21.23
TPSA306.67 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001872.19
LogP ≤ 521.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde with MolForge

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Related Compounds

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide
CID 123604695
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-methyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 146662533
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 146662559
2-[2-[2-[5-(cyclopropylmethyl)-1-tritylimidazol-2-yl]ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 146662618
5-(3-anilinoimidazo[1,2-a]pyridin-6-yl)-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-(N-methylanilino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-(3-phenoxyimidazo[1,2-a]pyridin-6-yl)pyridin-2-one;1,3-dimethyl-5-[3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[3-(2,2,2-trifluoroethoxymethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;5-[3-(ethoxymethyl)imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 161599213
5-benzyl-2-[2-[2-[4-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]oxazolo[4,5-c]pyridin-2-yl]ethylamino]ethyl]-N,N-dimethylimidazole-1-sulfinamide
CID 167244301
2-[2-[2-(1-benzylbenzimidazol-2-yl)ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 171522614
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 171522620
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 171522698
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenylimidazol-1-id-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;palladium
CID 153610584
N-benzyl-9-tert-butylpurin-6-amine;9-tert-butyl-6-ethoxy-2-methylpurine;3-tert-butylimidazo[4,5-b]pyridin-7-amine;3-tert-butyl-6H-imidazo[4,5-b]pyridin-7-one;9-tert-butyl-2-methyl-1H-purin-6-one;9-tert-butylpurine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine
CID 157208238
bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole
CID 157238579

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde?
The IUPAC name of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde (CID 159236012) is 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde is Fc1cccnc1CNc1nccc2oc(CCNCCC3=NC(c4ccccc4)=CC3)nc12.Fc1cccnc1CNc1nccc2oc(CCNCCc3nc(-c4ccccc4)cn3C(c3ccccc3)(c3ccccc3)c3ccccc3)nc12.NCCc1nc2c(NCc3ncccc3F)nccc2o1.O=CCc1nc(-c2ccccc2)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde?
The InChIKey is KTMBBGZUBHUXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38FN7O.C30H24N2O.C26H25FN6O.C14H14FN5O/c45-36-22-13-26-47-37(36)30-49-43-42-39(23-29-48-43)53-41(51-42)25-28-46-27-24-40-50-38(32-14-5-1-6-15-32)31-52(40)44(33-16-7-2-8-17-33,34-18-9-3-10-19-34)35-20-11-4-12-21-35;33-22-21-29-31-28(24-13-5-1-6-14-24)23-32(29)30(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27;27-20-7-4-13-29-22(20)17-31-26-25-23(11-16-30-26)34-24(33-25)12-15-28-14-10-19-8-9-21(32-19)18-5-2-1-3-6-18;15-9-2-1-6-17-10(9)8-19-14-13-11(4-7-18-14)21-12(20-13)3-5-16/h1-23,26,29,31,46H,24-25,27-28,30H2,(H,48,49);1-20,22-23H,21H2;1-7,9,11,13,16,28H,8,10,12,14-15,17H2,(H,30,31);1-2,4,6-7H,3,5,8,16H2,(H,18,19).
What are the key properties of 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde?
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde has a molecular weight of 1872.19 g/mol, XLogP of 21.23, 36 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(5-phenyl-3H-pyrrol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(4-phenyl-1-tritylimidazol-2-yl)ethylamino]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-(4-phenyl-1-tritylimidazol-2-yl)acetaldehyde is sourced from PubChem (CID 159236012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).