(5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

C33H34N10O2S — CID 154968074

IUPAC(5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ncc(-c8cn(C)cn8)s7)CC6)C5)C4=O)nc23)cn1
InChIInChI=1S/C33H34N10O2S/c1-21-3-4-23(15-34-21)29-30-24(38-39-29)5-6-27(37-30)43-14-10-33(32(43)45)9-13-41(19-33)18-28(44)42-11-7-22(8-12-42)31-35-16-26(46-31)25-17-40(2)20-36-25/h3-7,15-17,20H,8-14,18-19H2,1-2H3,(H,38,39)/t33-/m0/s1
InChIKeyXVSRBWFMXDEPDK-XIFFEERXSA-N
MW634.77 g/mol
LogP3.93
Rot. Bonds6

About (5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 154968074) has the molecular formula C33H34N10O2S and a molecular weight of 634.77 g/mol. Its IUPAC name is (5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID154968074
Molecular FormulaC33H34N10O2S
Molecular Weight634.77 g/mol
Exact Mass634.26
IUPAC Name(5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ncc(-c8cn(C)cn8)s7)CC6)C5)C4=O)nc23)cn1
InChIInChI=1S/C33H34N10O2S/c1-21-3-4-23(15-34-21)29-30-24(38-39-29)5-6-27(37-30)43-14-10-33(32(43)45)9-13-41(19-33)18-28(44)42-11-7-22(8-12-42)31-35-16-26(46-31)25-17-40(2)20-36-25/h3-7,15-17,20H,8-14,18-19H2,1-2H3,(H,38,39)/t33-/m0/s1
InChIKeyXVSRBWFMXDEPDK-XIFFEERXSA-N
XLogP3.93
TPSA129.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-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-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 154968074) is (5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is Cc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ncc(-c8cn(C)cn8)s7)CC6)C5)C4=O)nc23)cn1.
What is the InChIKey of (5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is XVSRBWFMXDEPDK-XIFFEERXSA-N. The full InChI is InChI=1S/C33H34N10O2S/c1-21-3-4-23(15-34-21)29-30-24(38-39-29)5-6-27(37-30)43-14-10-33(32(43)45)9-13-41(19-33)18-28(44)42-11-7-22(8-12-42)31-35-16-26(46-31)25-17-40(2)20-36-25/h3-7,15-17,20H,8-14,18-19H2,1-2H3,(H,38,39)/t33-/m0/s1.
What are the key properties of (5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
(5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 634.77 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[2-[4-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 154968074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).