(5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

C38H42N8O4 — CID 155081803

IUPAC(5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC1N=C(c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(OC(C)C)nc8)c7c6)C5=O)C4)CC3)cc2)ON1
InChIInChI=1S/C38H42N8O4/c1-24(2)49-33-11-8-29(21-39-33)35-31-20-30(9-10-32(31)41-42-35)46-19-15-38(37(46)48)14-18-44(23-38)22-34(47)45-16-12-27(13-17-45)26-4-6-28(7-5-26)36-40-25(3)43-50-36/h4-12,20-21,24-25,43H,13-19,22-23H2,1-3H3,(H,41,42)/t25?,38-/m0/s1
InChIKeyRZEBXQJDADYXLJ-DNUYPZOSSA-N
MW674.81 g/mol
LogP4.78
Rot. Bonds8

About (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 155081803) has the molecular formula C38H42N8O4 and a molecular weight of 674.81 g/mol. Its IUPAC name is (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID155081803
Molecular FormulaC38H42N8O4
Molecular Weight674.81 g/mol
Exact Mass674.33
IUPAC Name(5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC1N=C(c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(OC(C)C)nc8)c7c6)C5=O)C4)CC3)cc2)ON1
InChIInChI=1S/C38H42N8O4/c1-24(2)49-33-11-8-29(21-39-33)35-31-20-30(9-10-32(31)41-42-35)46-19-15-38(37(46)48)14-18-44(23-38)22-34(47)45-16-12-27(13-17-45)26-4-6-28(7-5-26)36-40-25(3)43-50-36/h4-12,20-21,24-25,43H,13-19,22-23H2,1-3H3,(H,41,42)/t25?,38-/m0/s1
InChIKeyRZEBXQJDADYXLJ-DNUYPZOSSA-N
XLogP4.78
TPSA128.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500674.81
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 155081803) is (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is CC1N=C(c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(OC(C)C)nc8)c7c6)C5=O)C4)CC3)cc2)ON1.
What is the InChIKey of (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is RZEBXQJDADYXLJ-DNUYPZOSSA-N. The full InChI is InChI=1S/C38H42N8O4/c1-24(2)49-33-11-8-29(21-39-33)35-31-20-30(9-10-32(31)41-42-35)46-19-15-38(37(46)48)14-18-44(23-38)22-34(47)45-16-12-27(13-17-45)26-4-6-28(7-5-26)36-40-25(3)43-50-36/h4-12,20-21,24-25,43H,13-19,22-23H2,1-3H3,(H,41,42)/t25?,38-/m0/s1.
What are the key properties of (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
(5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 674.81 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 155081803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).