2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C30H34FN7O2S — CID 146267516

IUPAC2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CCC4(CN(C[C@@H](O)CO)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C30H34FN7O2S/c1-4-24-28(35(3)29-33-27(26(13-32)41-29)20-5-7-21(31)8-6-20)25-12-22(11-19(2)38(25)34-24)37-10-9-30(18-37)16-36(17-30)14-23(40)15-39/h5-8,11-12,23,39-40H,4,9-10,14-18H2,1-3H3/t23-/m1/s1
InChIKeyYGWZAMYALQJVGY-HSZRJFAPSA-N
MW575.71 g/mol
LogP3.97
Rot. Bonds8

About 2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267516) has the molecular formula C30H34FN7O2S and a molecular weight of 575.71 g/mol. Its IUPAC name is 2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267516
Molecular FormulaC30H34FN7O2S
Molecular Weight575.71 g/mol
Exact Mass575.25
IUPAC Name2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CCC4(CN(C[C@@H](O)CO)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C30H34FN7O2S/c1-4-24-28(35(3)29-33-27(26(13-32)41-29)20-5-7-21(31)8-6-20)25-12-22(11-19(2)38(25)34-24)37-10-9-30(18-37)16-36(17-30)14-23(40)15-39/h5-8,11-12,23,39-40H,4,9-10,14-18H2,1-3H3/t23-/m1/s1
InChIKeyYGWZAMYALQJVGY-HSZRJFAPSA-N
XLogP3.97
TPSA104.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.71
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-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-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267516) is 2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CCC4(CN(C[C@@H](O)CO)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is YGWZAMYALQJVGY-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H34FN7O2S/c1-4-24-28(35(3)29-33-27(26(13-32)41-29)20-5-7-21(31)8-6-20)25-12-22(11-19(2)38(25)34-24)37-10-9-30(18-37)16-36(17-30)14-23(40)15-39/h5-8,11-12,23,39-40H,4,9-10,14-18H2,1-3H3/t23-/m1/s1.
What are the key properties of 2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 575.71 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[(2R)-2,3-dihydroxypropyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).