3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one

C35H35N9O4 — CID 154968127

IUPAC3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one
SMILESCc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ccc(-c8nn(C)c(=O)o8)cc7)CC6)C5)C4=O)nc23)cn1
InChIInChI=1S/C35H35N9O4/c1-22-3-4-26(19-36-22)30-31-27(38-39-30)9-10-28(37-31)44-18-14-35(33(44)46)13-17-42(21-35)20-29(45)43-15-11-24(12-16-43)23-5-7-25(8-6-23)32-40-41(2)34(47)48-32/h3-11,19H,12-18,20-21H2,1-2H3,(H,38,39)/t35-/m0/s1
InChIKeyOKWWSIQINMLFIF-DHUJRADRSA-N
MW645.72 g/mol
LogP3.43
Rot. Bonds6

About 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one

3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one (PubChem CID 154968127) has the molecular formula C35H35N9O4 and a molecular weight of 645.72 g/mol. Its IUPAC name is 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one
PubChem CID154968127
Molecular FormulaC35H35N9O4
Molecular Weight645.72 g/mol
Exact Mass645.28
IUPAC Name3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one
SMILESCc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ccc(-c8nn(C)c(=O)o8)cc7)CC6)C5)C4=O)nc23)cn1
InChIInChI=1S/C35H35N9O4/c1-22-3-4-26(19-36-22)30-31-27(38-39-30)9-10-28(37-31)44-18-14-35(33(44)46)13-17-42(21-35)20-29(45)43-15-11-24(12-16-43)23-5-7-25(8-6-23)32-40-41(2)34(47)48-32/h3-11,19H,12-18,20-21H2,1-2H3,(H,38,39)/t35-/m0/s1
InChIKeyOKWWSIQINMLFIF-DHUJRADRSA-N
XLogP3.43
TPSA146.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one (CID 154968127) is 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one is Cc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ccc(-c8nn(C)c(=O)o8)cc7)CC6)C5)C4=O)nc23)cn1.
What is the InChIKey of 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?
The InChIKey is OKWWSIQINMLFIF-DHUJRADRSA-N. The full InChI is InChI=1S/C35H35N9O4/c1-22-3-4-26(19-36-22)30-31-27(38-39-30)9-10-28(37-31)44-18-14-35(33(44)46)13-17-42(21-35)20-29(45)43-15-11-24(12-16-43)23-5-7-25(8-6-23)32-40-41(2)34(47)48-32/h3-11,19H,12-18,20-21H2,1-2H3,(H,38,39)/t35-/m0/s1.
What are the key properties of 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one?
3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one has a molecular weight of 645.72 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[1-[2-[(5S)-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 154968127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).