3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride

C61H57Cl3F2N20O5 — CID 157183074

IUPAC3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1.O=C(O)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1
InChIInChI=1S/C23H19ClFN7O.C16H17N5O2.C14H13N5O2.C8H7ClFN3.ClH/c24-18-6-7-30-13-26-19(23(30)22(18)25)3-4-21(33)20-12-31(29-27-20)11-16-10-17-9-15(14-1-2-14)5-8-32(17)28-16;1-2-23-16(22)15-10-20(19-17-15)9-13-8-14-7-12(11-3-4-11)5-6-21(14)18-13;20-14(21)13-8-18(17-15-13)7-11-6-12-5-10(9-1-2-9)3-4-19(12)16-11;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h5-10,12-14H,1-4,11H2;5-8,10-11H,2-4,9H2,1H3;3-6,8-9H,1-2,7H2,(H,20,21);1-2,4H,3,11H2;1H
InChIKeyNIWDUPJKYLQKCB-UHFFFAOYSA-N
MW1294.62 g/mol
LogP9.69
Rot. Bonds17

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride (PubChem CID 157183074) has the molecular formula C61H57Cl3F2N20O5 and a molecular weight of 1294.62 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Name3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride
PubChem CID157183074
Molecular FormulaC61H57Cl3F2N20O5
Molecular Weight1294.62 g/mol
Exact Mass1292.39
IUPAC Name3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride
SMILESCCOC(=O)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1.O=C(O)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1
InChIInChI=1S/C23H19ClFN7O.C16H17N5O2.C14H13N5O2.C8H7ClFN3.ClH/c24-18-6-7-30-13-26-19(23(30)22(18)25)3-4-21(33)20-12-31(29-27-20)11-16-10-17-9-15(14-1-2-14)5-8-32(17)28-16;1-2-23-16(22)15-10-20(19-17-15)9-13-8-14-7-12(11-3-4-11)5-6-21(14)18-13;20-14(21)13-8-18(17-15-13)7-11-6-12-5-10(9-1-2-9)3-4-19(12)16-11;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h5-10,12-14H,1-4,11H2;5-8,10-11H,2-4,9H2,1H3;3-6,8-9H,1-2,7H2,(H,20,21);1-2,4H,3,11H2;1H
InChIKeyNIWDUPJKYLQKCB-UHFFFAOYSA-N
XLogP9.69
TPSA285.32 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms91
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001294.62
LogP ≤ 59.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride?
The IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride (CID 157183074) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride.
What is the SMILES notation for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride?
The canonical SMILES for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride is CCOC(=O)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1.O=C(O)c1cn(Cc2cc3cc(C4CC4)ccn3n2)nn1.
What is the InChIKey of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride?
The InChIKey is NIWDUPJKYLQKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN7O.C16H17N5O2.C14H13N5O2.C8H7ClFN3.ClH/c24-18-6-7-30-13-26-19(23(30)22(18)25)3-4-21(33)20-12-31(29-27-20)11-16-10-17-9-15(14-1-2-14)5-8-32(17)28-16;1-2-23-16(22)15-10-20(19-17-15)9-13-8-14-7-12(11-3-4-11)5-6-21(14)18-13;20-14(21)13-8-18(17-15-13)7-11-6-12-5-10(9-1-2-9)3-4-19(12)16-11;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h5-10,12-14H,1-4,11H2;5-8,10-11H,2-4,9H2,1H3;3-6,8-9H,1-2,7H2,(H,20,21);1-2,4H,3,11H2;1H.
What are the key properties of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride?
3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride has a molecular weight of 1294.62 g/mol, XLogP of 9.69, 17 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;ethyl 1-[(5-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)methyl]triazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 157183074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).