methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate

C19H22FN5O3 — CID 172631121

IUPACmethyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cnn3cc(OC)c(C4(F)CCNCC4)cc23)nn1C
InChIInChI=1S/C19H22FN5O3/c1-24-16(18(26)28-3)9-14(23-24)12-10-22-25-11-17(27-2)13(8-15(12)25)19(20)4-6-21-7-5-19/h8-11,21H,4-7H2,1-3H3
InChIKeyUVZWJSJLQVHIHF-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.08
Rot. Bonds4

About methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate

methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate (PubChem CID 172631121) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate
PubChem CID172631121
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Namemethyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cnn3cc(OC)c(C4(F)CCNCC4)cc23)nn1C
InChIInChI=1S/C19H22FN5O3/c1-24-16(18(26)28-3)9-14(23-24)12-10-22-25-11-17(27-2)13(8-15(12)25)19(20)4-6-21-7-5-19/h8-11,21H,4-7H2,1-3H3
InChIKeyUVZWJSJLQVHIHF-UHFFFAOYSA-N
XLogP2.08
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate (CID 172631121) is methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate is COC(=O)c1cc(-c2cnn3cc(OC)c(C4(F)CCNCC4)cc23)nn1C.
What is the InChIKey of methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate?
The InChIKey is UVZWJSJLQVHIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-24-16(18(26)28-3)9-14(23-24)12-10-22-25-11-17(27-2)13(8-15(12)25)19(20)4-6-21-7-5-19/h8-11,21H,4-7H2,1-3H3.
What are the key properties of methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate?
methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(4-fluoropiperidin-4-yl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 172631121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).