ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine

C46H46F2N14O2 — CID 159576042

IUPACethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCCOC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1CC.CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-c1ncc[nH]1.NCCN
InChIInChI=1S/C22H18FN7.C22H20FN5O2.C2H8N2/c1-2-14-12-27-21(28-18(14)20-24-10-11-25-20)19-16-7-5-9-26-22(16)30(29-19)13-15-6-3-4-8-17(15)23;1-3-14-12-25-20(26-18(14)22(29)30-4-2)19-16-9-7-11-24-21(16)28(27-19)13-15-8-5-6-10-17(15)23;3-1-2-4/h3-12H,2,13H2,1H3,(H,24,25);5-12H,3-4,13H2,1-2H3;1-4H2
InChIKeyMIKNCHWRLWCHPG-UHFFFAOYSA-N
MW864.97 g/mol
LogP6.75
Rot. Bonds12

About ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine

ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine (PubChem CID 159576042) has the molecular formula C46H46F2N14O2 and a molecular weight of 864.97 g/mol. Its IUPAC name is ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
PubChem CID159576042
Molecular FormulaC46H46F2N14O2
Molecular Weight864.97 g/mol
Exact Mass864.39
IUPAC Nameethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCCOC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1CC.CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-c1ncc[nH]1.NCCN
InChIInChI=1S/C22H18FN7.C22H20FN5O2.C2H8N2/c1-2-14-12-27-21(28-18(14)20-24-10-11-25-20)19-16-7-5-9-26-22(16)30(29-19)13-15-6-3-4-8-17(15)23;1-3-14-12-25-20(26-18(14)22(29)30-4-2)19-16-9-7-11-24-21(16)28(27-19)13-15-8-5-6-10-17(15)23;3-1-2-4/h3-12H,2,13H2,1H3,(H,24,25);5-12H,3-4,13H2,1-2H3;1-4H2
InChIKeyMIKNCHWRLWCHPG-UHFFFAOYSA-N
XLogP6.75
TPSA220.00 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500864.97
LogP ≤ 56.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine with MolForge

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Related Compounds

ethyl 6-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylate
CID 118710523
ethyl 6-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylate
CID 118710524
Ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 20729814
Methyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 20729817
ethyl 6-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-2-carboxylate
CID 25204352
Ethyl 2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-8-oxo-8,9-dihydro-7H-purine-6-carboxylate
CID 66613645
Ethyl 5,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4-carboxylate
CID 66614118
[6-(methoxymethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-[4-[3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]cyclobutyl]piperazin-1-yl]methanone
CID 69675647
Ethyl 6-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidine-4-carboxylate
CID 90180615
[(4-fluorophenyl)-[4-[[1-[[2-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methoxy]-2-oxoethyl]amino]-5-methylpyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl] 2-aminopropanoate
CID 90981959
2-fluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118608309
N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
CID 118616428

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine (CID 159576042) is ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine is CCOC(=O)c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1CC.CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-c1ncc[nH]1.NCCN.
What is the InChIKey of ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is MIKNCHWRLWCHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7.C22H20FN5O2.C2H8N2/c1-2-14-12-27-21(28-18(14)20-24-10-11-25-20)19-16-7-5-9-26-22(16)30(29-19)13-15-6-3-4-8-17(15)23;1-3-14-12-25-20(26-18(14)22(29)30-4-2)19-16-9-7-11-24-21(16)28(27-19)13-15-8-5-6-10-17(15)23;3-1-2-4/h3-12H,2,13H2,1H3,(H,24,25);5-12H,3-4,13H2,1-2H3;1-4H2.
What are the key properties of ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 864.97 g/mol, XLogP of 6.75, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;ethyl 5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4-carboxylate;3-[5-ethyl-4-(1H-imidazol-2-yl)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 159576042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).