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

C32H34FN7O2S — CID 146267636

IUPAC2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CC4(CCN(C(=O)[C@H]5CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C32H34FN7O2S/c1-4-25-29(37(3)31-35-28(27(15-34)43-31)21-5-7-23(33)8-6-21)26-14-24(13-20(2)40(26)36-25)39-18-32(19-39)10-11-38(17-32)30(41)22-9-12-42-16-22/h5-8,13-14,22H,4,9-12,16-19H2,1-3H3/t22-/m0/s1
InChIKeyZBAPZLQMONACNN-QFIPXVFZSA-N
MW599.74 g/mol
LogP5.18
Rot. Bonds6

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

2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267636) has the molecular formula C32H34FN7O2S and a molecular weight of 599.74 g/mol. Its IUPAC name is 2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267636
Molecular FormulaC32H34FN7O2S
Molecular Weight599.74 g/mol
Exact Mass599.25
IUPAC Name2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CC4(CCN(C(=O)[C@H]5CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C32H34FN7O2S/c1-4-25-29(37(3)31-35-28(27(15-34)43-31)21-5-7-23(33)8-6-21)26-14-24(13-20(2)40(26)36-25)39-18-32(19-39)10-11-38(17-32)30(41)22-9-12-42-16-22/h5-8,13-14,22H,4,9-12,16-19H2,1-3H3/t22-/m0/s1
InChIKeyZBAPZLQMONACNN-QFIPXVFZSA-N
XLogP5.18
TPSA90.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-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-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267636) is 2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-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-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CC4(CCN(C(=O)[C@H]5CCOC5)C4)C3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is ZBAPZLQMONACNN-QFIPXVFZSA-N. The full InChI is InChI=1S/C32H34FN7O2S/c1-4-25-29(37(3)31-35-28(27(15-34)43-31)21-5-7-23(33)8-6-21)26-14-24(13-20(2)40(26)36-25)39-18-32(19-39)10-11-38(17-32)30(41)22-9-12-42-16-22/h5-8,13-14,22H,4,9-12,16-19H2,1-3H3/t22-/m0/s1.
What are the key properties of 2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 599.74 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-7-methyl-5-[7-[(3S)-oxolane-3-carbonyl]-2,7-diazaspiro[3.4]octan-2-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).