2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C30H32FN7S — CID 146267749

IUPAC2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESC=C(CC)N1CC2(C1)CN(c1cc(C)n3nc(CC)c(N(C)c4nc(-c5ccc(F)cc5)c(C#N)s4)c3c1)C2
InChIInChI=1S/C30H32FN7S/c1-6-19(3)36-15-30(16-36)17-37(18-30)23-12-20(4)38-25(13-23)28(24(7-2)34-38)35(5)29-33-27(26(14-32)39-29)21-8-10-22(31)11-9-21/h8-13H,3,6-7,15-18H2,1-2,4-5H3
InChIKeyWLZAEMZXNDZCCG-UHFFFAOYSA-N
MW541.70 g/mol
LogP6.15
Rot. Bonds7

About 2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267749) has the molecular formula C30H32FN7S and a molecular weight of 541.70 g/mol. Its IUPAC name is 2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-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-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267749
Molecular FormulaC30H32FN7S
Molecular Weight541.70 g/mol
Exact Mass541.24
IUPAC Name2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESC=C(CC)N1CC2(C1)CN(c1cc(C)n3nc(CC)c(N(C)c4nc(-c5ccc(F)cc5)c(C#N)s4)c3c1)C2
InChIInChI=1S/C30H32FN7S/c1-6-19(3)36-15-30(16-36)17-37(18-30)23-12-20(4)38-25(13-23)28(24(7-2)34-38)35(5)29-33-27(26(14-32)39-29)21-8-10-22(31)11-9-21/h8-13H,3,6-7,15-18H2,1-2,4-5H3
InChIKeyWLZAEMZXNDZCCG-UHFFFAOYSA-N
XLogP6.15
TPSA63.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-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-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-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-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267749) is 2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-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-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-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-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is C=C(CC)N1CC2(C1)CN(c1cc(C)n3nc(CC)c(N(C)c4nc(-c5ccc(F)cc5)c(C#N)s4)c3c1)C2.
What is the InChIKey of 2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is WLZAEMZXNDZCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7S/c1-6-19(3)36-15-30(16-36)17-37(18-30)23-12-20(4)38-25(13-23)28(24(7-2)34-38)35(5)29-33-27(26(14-32)39-29)21-8-10-22(31)11-9-21/h8-13H,3,6-7,15-18H2,1-2,4-5H3.
What are the key properties of 2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-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 541.70 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-but-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-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 146267749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).