2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide

C26H25ClFN5O2 — CID 134436425

IUPAC2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
SMILESCOc1cc(-c2ccc(N3CCC(C)(NC(=O)c4c(F)cccc4Cl)CC3)nc2)c2ccnn2c1
InChIInChI=1S/C26H25ClFN5O2/c1-26(31-25(34)24-20(27)4-3-5-21(24)28)9-12-32(13-10-26)23-7-6-17(15-29-23)19-14-18(35-2)16-33-22(19)8-11-30-33/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,31,34)
InChIKeySHPMDZNTVNRZMU-UHFFFAOYSA-N
MW493.97 g/mol
LogP4.99
Rot. Bonds5

About 2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide

2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide (PubChem CID 134436425) has the molecular formula C26H25ClFN5O2 and a molecular weight of 493.97 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
PubChem CID134436425
Molecular FormulaC26H25ClFN5O2
Molecular Weight493.97 g/mol
Exact Mass493.17
IUPAC Name2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
SMILESCOc1cc(-c2ccc(N3CCC(C)(NC(=O)c4c(F)cccc4Cl)CC3)nc2)c2ccnn2c1
InChIInChI=1S/C26H25ClFN5O2/c1-26(31-25(34)24-20(27)4-3-5-21(24)28)9-12-32(13-10-26)23-7-6-17(15-29-23)19-14-18(35-2)16-33-22(19)8-11-30-33/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,31,34)
InChIKeySHPMDZNTVNRZMU-UHFFFAOYSA-N
XLogP4.99
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide (CID 134436425) is 2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide is COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4c(F)cccc4Cl)CC3)nc2)c2ccnn2c1.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The InChIKey is SHPMDZNTVNRZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O2/c1-26(31-25(34)24-20(27)4-3-5-21(24)28)9-12-32(13-10-26)23-7-6-17(15-29-23)19-14-18(35-2)16-33-22(19)8-11-30-33/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,31,34).
What are the key properties of 2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide has a molecular weight of 493.97 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide is sourced from PubChem (CID 134436425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).