2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

C29H27F2N5O3 — CID 156855075

IUPAC2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(OC)c(C(=O)Nc3cnn(CC)c3)cc12
InChIInChI=1S/C29H27F2N5O3/c1-4-19-25-14-20(28(37)33-18-15-32-35(5-2)16-18)26(39-3)17-36(25)34-27(19)29(38,21-10-6-8-12-23(21)30)22-11-7-9-13-24(22)31/h6-17,38H,4-5H2,1-3H3,(H,33,37)
InChIKeyPEDMMKYVLXUYEG-UHFFFAOYSA-N
MW531.56 g/mol
LogP4.94
Rot. Bonds8

About 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 156855075) has the molecular formula C29H27F2N5O3 and a molecular weight of 531.56 g/mol. Its IUPAC name is 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID156855075
Molecular FormulaC29H27F2N5O3
Molecular Weight531.56 g/mol
Exact Mass531.21
IUPAC Name2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(OC)c(C(=O)Nc3cnn(CC)c3)cc12
InChIInChI=1S/C29H27F2N5O3/c1-4-19-25-14-20(28(37)33-18-15-32-35(5-2)16-18)26(39-3)17-36(25)34-27(19)29(38,21-10-6-8-12-23(21)30)22-11-7-9-13-24(22)31/h6-17,38H,4-5H2,1-3H3,(H,33,37)
InChIKeyPEDMMKYVLXUYEG-UHFFFAOYSA-N
XLogP4.94
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (CID 156855075) is 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(OC)c(C(=O)Nc3cnn(CC)c3)cc12.
What is the InChIKey of 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is PEDMMKYVLXUYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N5O3/c1-4-19-25-14-20(28(37)33-18-15-32-35(5-2)16-18)26(39-3)17-36(25)34-27(19)29(38,21-10-6-8-12-23(21)30)22-11-7-9-13-24(22)31/h6-17,38H,4-5H2,1-3H3,(H,33,37).
What are the key properties of 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 531.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-4-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 156855075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).