2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one

C37H36N10O3 — CID 154961247

IUPAC2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1nc2nc(-c3n[nH]c4ccc(N5CCC6(CCN(CC(=O)N7CC=C(c8ccc(-c9ncn(C)n9)cc8)CC7)C6)C5=O)cc34)ccc2o1
InChIInChI=1S/C37H36N10O3/c1-23-39-35-31(50-23)10-9-30(40-35)33-28-19-27(7-8-29(28)41-42-33)47-18-14-37(36(47)49)13-17-45(21-37)20-32(48)46-15-11-25(12-16-46)24-3-5-26(6-4-24)34-38-22-44(2)43-34/h3-11,19,22H,12-18,20-21H2,1-2H3,(H,41,42)
InChIKeyGJGLAWCBXKJKDU-UHFFFAOYSA-N
MW668.76 g/mol
LogP4.61
Rot. Bonds6

About 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one

2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 154961247) has the molecular formula C37H36N10O3 and a molecular weight of 668.76 g/mol. Its IUPAC name is 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID154961247
Molecular FormulaC37H36N10O3
Molecular Weight668.76 g/mol
Exact Mass668.30
IUPAC Name2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1nc2nc(-c3n[nH]c4ccc(N5CCC6(CCN(CC(=O)N7CC=C(c8ccc(-c9ncn(C)n9)cc8)CC7)C6)C5=O)cc34)ccc2o1
InChIInChI=1S/C37H36N10O3/c1-23-39-35-31(50-23)10-9-30(40-35)33-28-19-27(7-8-29(28)41-42-33)47-18-14-37(36(47)49)13-17-45(21-37)20-32(48)46-15-11-25(12-16-46)24-3-5-26(6-4-24)34-38-22-44(2)43-34/h3-11,19,22H,12-18,20-21H2,1-2H3,(H,41,42)
InChIKeyGJGLAWCBXKJKDU-UHFFFAOYSA-N
XLogP4.61
TPSA142.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.76
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 154961247) is 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one is Cc1nc2nc(-c3n[nH]c4ccc(N5CCC6(CCN(CC(=O)N7CC=C(c8ccc(-c9ncn(C)n9)cc8)CC7)C6)C5=O)cc34)ccc2o1.
What is the InChIKey of 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is GJGLAWCBXKJKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N10O3/c1-23-39-35-31(50-23)10-9-30(40-35)33-28-19-27(7-8-29(28)41-42-33)47-18-14-37(36(47)49)13-17-45(21-37)20-32(48)46-15-11-25(12-16-46)24-3-5-26(6-4-24)34-38-22-44(2)43-34/h3-11,19,22H,12-18,20-21H2,1-2H3,(H,41,42).
What are the key properties of 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one?
2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 668.76 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 154961247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).