2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C32H34FN9OS — CID 156509146

IUPAC2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCN1CCC(C(=O)N2CC3(C2)CN(c2cnc4nn(C5CC5)c(N(C)c5nc(-c6ccc(F)cc6)c(C#N)s5)c4c2)C3)CC1
InChIInChI=1S/C32H34FN9OS/c1-38-11-9-21(10-12-38)30(43)41-18-32(19-41)16-40(17-32)24-13-25-28(35-15-24)37-42(23-7-8-23)29(25)39(2)31-36-27(26(14-34)44-31)20-3-5-22(33)6-4-20/h3-6,13,15,21,23H,7-12,16-19H2,1-2H3
InChIKeyLVZUPSKUKKBPMJ-UHFFFAOYSA-N
MW611.75 g/mol
LogP4.66
Rot. Bonds6

About 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 156509146) has the molecular formula C32H34FN9OS and a molecular weight of 611.75 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID156509146
Molecular FormulaC32H34FN9OS
Molecular Weight611.75 g/mol
Exact Mass611.26
IUPAC Name2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCN1CCC(C(=O)N2CC3(C2)CN(c2cnc4nn(C5CC5)c(N(C)c5nc(-c6ccc(F)cc6)c(C#N)s5)c4c2)C3)CC1
InChIInChI=1S/C32H34FN9OS/c1-38-11-9-21(10-12-38)30(43)41-18-32(19-41)16-40(17-32)24-13-25-28(35-15-24)37-42(23-7-8-23)29(25)39(2)31-36-27(26(14-34)44-31)20-3-5-22(33)6-4-20/h3-6,13,15,21,23H,7-12,16-19H2,1-2H3
InChIKeyLVZUPSKUKKBPMJ-UHFFFAOYSA-N
XLogP4.66
TPSA97.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.75
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Related Compounds

2-[[2-ethyl-7-methyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267854
4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile
CID 175681670
2-[[(3S)-5-fluoro-3-hydroxy-7-[2-[(3S)-1-methylpyrrolidine-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 175681719
2-[[2-cyclopropyl-6-fluoro-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
CID 158654815
4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylpyrazolo[3,4-b]pyridin-5-yl]piperazine-1-carboxylic acid
CID 175044155
4-(4-fluorophenyl)-2-[[3-[2-(2-hydroxy-2-methylpropanoyl)-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]-methylamino]-1,3-thiazole-5-carbonitrile
CID 176630701
2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 175681705
2-[[2-ethyl-5-[2-(3-hydroxyazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
CID 158769985
2-[[(3R)-5-fluoro-3-hydroxy-7-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 175681703
2-[[5-fluoro-3-hydroxy-7-[2-[(2R)-oxolane-2-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 176630719
2-[[1-cyclopropyl-3-(methylideneamino)-4-[(E)-2-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]prop-1-enyl]pyrazol-5-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 155277832
tert-butyl 6-[9-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-5-fluoro-3-oxo-1,2-dihydrocyclopenta[b]quinolin-7-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 176630578

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 156509146) is 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CN1CCC(C(=O)N2CC3(C2)CN(c2cnc4nn(C5CC5)c(N(C)c5nc(-c6ccc(F)cc6)c(C#N)s5)c4c2)C3)CC1.
What is the InChIKey of 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is LVZUPSKUKKBPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN9OS/c1-38-11-9-21(10-12-38)30(43)41-18-32(19-41)16-40(17-32)24-13-25-28(35-15-24)37-42(23-7-8-23)29(25)39(2)31-36-27(26(14-34)44-31)20-3-5-22(33)6-4-20/h3-6,13,15,21,23H,7-12,16-19H2,1-2H3.
What are the key properties of 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 611.75 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[3,4-b]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 156509146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).