2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C33H34FN7O2S — CID 146267609

IUPAC2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCc1cc(N2CCC3(CN(C(=O)[C@H]4CCOC4)C3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12
InChIInChI=1S/C33H34FN7O2S/c1-20-13-25(39-11-10-33(17-39)18-40(19-33)31(42)23-9-12-43-16-23)14-26-30(29(22-3-4-22)37-41(20)26)38(2)32-36-28(27(15-35)44-32)21-5-7-24(34)8-6-21/h5-8,13-14,22-23H,3-4,9-12,16-19H2,1-2H3/t23-/m0/s1
InChIKeyVTENCUOHUYINDZ-QHCPKHFHSA-N
MW611.75 g/mol
LogP5.50
Rot. Bonds6

About 2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267609) has the molecular formula C33H34FN7O2S and a molecular weight of 611.75 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267609
Molecular FormulaC33H34FN7O2S
Molecular Weight611.75 g/mol
Exact Mass611.25
IUPAC Name2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCc1cc(N2CCC3(CN(C(=O)[C@H]4CCOC4)C3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12
InChIInChI=1S/C33H34FN7O2S/c1-20-13-25(39-11-10-33(17-39)18-40(19-33)31(42)23-9-12-43-16-23)14-26-30(29(22-3-4-22)37-41(20)26)38(2)32-36-28(27(15-35)44-32)21-5-7-24(34)8-6-21/h5-8,13-14,22-23H,3-4,9-12,16-19H2,1-2H3/t23-/m0/s1
InChIKeyVTENCUOHUYINDZ-QHCPKHFHSA-N
XLogP5.50
TPSA90.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[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-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267609) is 2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is Cc1cc(N2CCC3(CN(C(=O)[C@H]4CCOC4)C3)C2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.
What is the InChIKey of 2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is VTENCUOHUYINDZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C33H34FN7O2S/c1-20-13-25(39-11-10-33(17-39)18-40(19-33)31(42)23-9-12-43-16-23)14-26-30(29(22-3-4-22)37-41(20)26)38(2)32-36-28(27(15-35)44-32)21-5-7-24(34)8-6-21/h5-8,13-14,22-23H,3-4,9-12,16-19H2,1-2H3/t23-/m0/s1.
What are the key properties of 2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 611.75 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-7-methyl-5-[2-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).