2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C33H37FN8O2S — CID 146267903

IUPAC2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CCC4(CCN(C(=O)N5CC(O)C5)CC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C33H37FN8O2S/c1-4-26-30(38(3)31-36-29(28(17-35)45-31)22-5-7-23(34)8-6-22)27-16-24(15-21(2)42(27)37-26)40-14-11-33(20-40)9-12-39(13-10-33)32(44)41-18-25(43)19-41/h5-8,15-16,25,43H,4,9-14,18-20H2,1-3H3
InChIKeyCXMXRLRYKRPDEF-UHFFFAOYSA-N
MW628.78 g/mol
LogP5.20
Rot. Bonds5

About 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267903) has the molecular formula C33H37FN8O2S and a molecular weight of 628.78 g/mol. Its IUPAC name is 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267903
Molecular FormulaC33H37FN8O2S
Molecular Weight628.78 g/mol
Exact Mass628.27
IUPAC Name2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CCC4(CCN(C(=O)N5CC(O)C5)CC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C33H37FN8O2S/c1-4-26-30(38(3)31-36-29(28(17-35)45-31)22-5-7-23(34)8-6-22)27-16-24(15-21(2)42(27)37-26)40-14-11-33(20-40)9-12-39(13-10-33)32(44)41-18-25(43)19-41/h5-8,15-16,25,43H,4,9-14,18-20H2,1-3H3
InChIKeyCXMXRLRYKRPDEF-UHFFFAOYSA-N
XLogP5.20
TPSA104.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267903) is 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CCC4(CCN(C(=O)N5CC(O)C5)CC4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is CXMXRLRYKRPDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN8O2S/c1-4-26-30(38(3)31-36-29(28(17-35)45-31)22-5-7-23(34)8-6-22)27-16-24(15-21(2)42(27)37-26)40-14-11-33(20-40)9-12-39(13-10-33)32(44)41-18-25(43)19-41/h5-8,15-16,25,43H,4,9-14,18-20H2,1-3H3.
What are the key properties of 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 628.78 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-5-[8-(3-hydroxyazetidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).