7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride

C89H97Cl2FN28O16S — CID 159241249

IUPAC7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride
SMILESCC(N)c1cocn1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(Cl)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(NC(C)c3cocn3)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@@H](C)c3cocn3)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@H](C)c3cocn3)c2n1.CSF.Cl
InChIInChI=1S/3C22H23N7O4.C17H16ClN5O3.C5H8N2O.CH3FS.ClH/c3*1-5-29-8-14-19(28-29)20(24-11(2)15-9-33-10-23-15)18(22(30)27-14)21-25-12-6-16(31-3)17(32-4)7-13(12)26-21;1-4-23-7-10-15(22-23)14(18)13(17(24)21-10)16-19-8-5-11(25-2)12(26-3)6-9(8)20-16;1-4(6)5-2-8-3-7-5;1-3-2;/h3*6-11,24H,5H2,1-4H3,(H,25,26)(H,27,30);5-7H,4H2,1-3H3,(H,19,20)(H,21,24);2-4H,6H2,1H3;1H3;1H/t2*11-;;;;;/m10...../s1
InChIKeyDEDUIPXNXBXCMW-GKHPBPHBSA-N
MW1936.91 g/mol
LogP15.71
Rot. Bonds26

About 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride

7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride (PubChem CID 159241249) has the molecular formula C89H97Cl2FN28O16S and a molecular weight of 1936.91 g/mol. Its IUPAC name is 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride
PubChem CID159241249
Molecular FormulaC89H97Cl2FN28O16S
Molecular Weight1936.91 g/mol
Exact Mass1934.67
IUPAC Name7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride
SMILESCC(N)c1cocn1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(Cl)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(NC(C)c3cocn3)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@@H](C)c3cocn3)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@H](C)c3cocn3)c2n1.CSF.Cl
InChIInChI=1S/3C22H23N7O4.C17H16ClN5O3.C5H8N2O.CH3FS.ClH/c3*1-5-29-8-14-19(28-29)20(24-11(2)15-9-33-10-23-15)18(22(30)27-14)21-25-12-6-16(31-3)17(32-4)7-13(12)26-21;1-4-23-7-10-15(22-23)14(18)13(17(24)21-10)16-19-8-5-11(25-2)12(26-3)6-9(8)20-16;1-4(6)5-2-8-3-7-5;1-3-2;/h3*6-11,24H,5H2,1-4H3,(H,25,26)(H,27,30);5-7H,4H2,1-3H3,(H,19,20)(H,21,24);2-4H,6H2,1H3;1H3;1H/t2*11-;;;;;/m10...../s1
InChIKeyDEDUIPXNXBXCMW-GKHPBPHBSA-N
XLogP15.71
TPSA557.51 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds26
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001936.91
LogP ≤ 515.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride (CID 159241249) is 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride is CC(N)c1cocn1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(Cl)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(NC(C)c3cocn3)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@@H](C)c3cocn3)c2n1.CCn1cc2[nH]c(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)c(N[C@H](C)c3cocn3)c2n1.CSF.Cl.
What is the InChIKey of 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride?
The InChIKey is DEDUIPXNXBXCMW-GKHPBPHBSA-N. The full InChI is InChI=1S/3C22H23N7O4.C17H16ClN5O3.C5H8N2O.CH3FS.ClH/c3*1-5-29-8-14-19(28-29)20(24-11(2)15-9-33-10-23-15)18(22(30)27-14)21-25-12-6-16(31-3)17(32-4)7-13(12)26-21;1-4-23-7-10-15(22-23)14(18)13(17(24)21-10)16-19-8-5-11(25-2)12(26-3)6-9(8)20-16;1-4(6)5-2-8-3-7-5;1-3-2;/h3*6-11,24H,5H2,1-4H3,(H,25,26)(H,27,30);5-7H,4H2,1-3H3,(H,19,20)(H,21,24);2-4H,6H2,1H3;1H3;1H/t2*11-;;;;;/m10...../s1.
What are the key properties of 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride?
7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride has a molecular weight of 1936.91 g/mol, XLogP of 15.71, 26 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1R)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-(1,3-oxazol-4-yl)ethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[1-(1,3-oxazol-4-yl)ethylamino]-4H-pyrazolo[4,3-b]pyridin-5-one;methyl thiohypofluorite;1-(1,3-oxazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 159241249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).