3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C68H73N15O4 — CID 160669397

IUPAC3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCn4ccnc4C3)c1)=NC2.CCc1nnc2n1CCN(c1cc(C3=NCc4ccc(OC(C)C)cc43)ccn1)C2.Cc1nc2c(o1)CCN(c1cc(C3=NCc4ccc(OC(C)C)cc43)ccn1)C2
InChIInChI=1S/C23H26N6O.C23H24N4O2.C22H23N5O/c1-4-20-26-27-22-14-28(9-10-29(20)22)21-11-16(7-8-24-21)23-19-12-18(30-15(2)3)6-5-17(19)13-25-23;1-14(2)28-18-5-4-17-12-25-23(19(17)11-18)16-6-8-24-22(10-16)27-9-7-21-20(13-27)26-15(3)29-21;1-15(2)28-18-4-3-17-13-25-22(19(17)12-18)16-5-6-23-20(11-16)27-10-9-26-8-7-24-21(26)14-27/h5-8,11-12,15H,4,9-10,13-14H2,1-3H3;4-6,8,10-11,14H,7,9,12-13H2,1-3H3;3-8,11-12,15H,9-10,13-14H2,1-2H3
InChIKeyRMSQEWAKZFGAMK-UHFFFAOYSA-N
MW1164.43 g/mol
LogP10.91
Rot. Bonds13

About 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 160669397) has the molecular formula C68H73N15O4 and a molecular weight of 1164.43 g/mol. Its IUPAC name is 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID160669397
Molecular FormulaC68H73N15O4
Molecular Weight1164.43 g/mol
Exact Mass1163.60
IUPAC Name3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCn4ccnc4C3)c1)=NC2.CCc1nnc2n1CCN(c1cc(C3=NCc4ccc(OC(C)C)cc43)ccn1)C2.Cc1nc2c(o1)CCN(c1cc(C3=NCc4ccc(OC(C)C)cc43)ccn1)C2
InChIInChI=1S/C23H26N6O.C23H24N4O2.C22H23N5O/c1-4-20-26-27-22-14-28(9-10-29(20)22)21-11-16(7-8-24-21)23-19-12-18(30-15(2)3)6-5-17(19)13-25-23;1-14(2)28-18-5-4-17-12-25-23(19(17)11-18)16-6-8-24-22(10-16)27-9-7-21-20(13-27)26-15(3)29-21;1-15(2)28-18-4-3-17-13-25-22(19(17)12-18)16-5-6-23-20(11-16)27-10-9-26-8-7-24-21(26)14-27/h5-8,11-12,15H,4,9-10,13-14H2,1-3H3;4-6,8,10-11,14H,7,9,12-13H2,1-3H3;3-8,11-12,15H,9-10,13-14H2,1-2H3
InChIKeyRMSQEWAKZFGAMK-UHFFFAOYSA-N
XLogP10.91
TPSA187.72 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001164.43
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157482112
7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
2-cyclopropyl-5-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 157479162
1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
CID 160954151
2-[2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123733970
5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245094
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide
CID 158833367
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide
CID 158939204

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 160669397) is 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCn4ccnc4C3)c1)=NC2.CCc1nnc2n1CCN(c1cc(C3=NCc4ccc(OC(C)C)cc43)ccn1)C2.Cc1nc2c(o1)CCN(c1cc(C3=NCc4ccc(OC(C)C)cc43)ccn1)C2.
What is the InChIKey of 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is RMSQEWAKZFGAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O.C23H24N4O2.C22H23N5O/c1-4-20-26-27-22-14-28(9-10-29(20)22)21-11-16(7-8-24-21)23-19-12-18(30-15(2)3)6-5-17(19)13-25-23;1-14(2)28-18-5-4-17-12-25-23(19(17)11-18)16-6-8-24-22(10-16)27-9-7-21-20(13-27)26-15(3)29-21;1-15(2)28-18-4-3-17-13-25-22(19(17)12-18)16-5-6-23-20(11-16)27-10-9-26-8-7-24-21(26)14-27/h5-8,11-12,15H,4,9-10,13-14H2,1-3H3;4-6,8,10-11,14H,7,9,12-13H2,1-3H3;3-8,11-12,15H,9-10,13-14H2,1-2H3.
What are the key properties of 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 1164.43 g/mol, XLogP of 10.91, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-5-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 160669397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).