3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide

C30H30ClFN8O2 — CID 134434886

IUPAC3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCN1CC(F)(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ncccc5Cl)CC4)nc3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C30H30ClFN8O2/c1-29(37-28(41)26-24(31)4-3-9-34-26)7-10-39(11-8-29)25-6-5-20(14-35-25)23-12-22(42-19-30(32)17-38(2)18-30)16-40-27(23)21(13-33)15-36-40/h3-6,9,12,14-16H,7-8,10-11,17-19H2,1-2H3,(H,37,41)
InChIKeyIURXPODASSRNEN-UHFFFAOYSA-N
MW589.08 g/mol
LogP4.14
Rot. Bonds7

About 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide

3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134434886) has the molecular formula C30H30ClFN8O2 and a molecular weight of 589.08 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
PubChem CID134434886
Molecular FormulaC30H30ClFN8O2
Molecular Weight589.08 g/mol
Exact Mass588.22
IUPAC Name3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCN1CC(F)(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ncccc5Cl)CC4)nc3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C30H30ClFN8O2/c1-29(37-28(41)26-24(31)4-3-9-34-26)7-10-39(11-8-29)25-6-5-20(14-35-25)23-12-22(42-19-30(32)17-38(2)18-30)16-40-27(23)21(13-33)15-36-40/h3-6,9,12,14-16H,7-8,10-11,17-19H2,1-2H3,(H,37,41)
InChIKeyIURXPODASSRNEN-UHFFFAOYSA-N
XLogP4.14
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.08
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

CID 134435339
CID 134435339
CID 134434572
CID 134434572
CID 134434589
CID 134434589
CID 134434595
CID 134434595
CID 134434596
CID 134434596
CID 134434597
CID 134434597
CID 134434623
CID 134434623
CID 134434671
CID 134434671
CID 134434708
CID 134434708
CID 134434741
CID 134434741
CID 134434770
CID 134434770
CID 134434785
CID 134434785

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134434886) is 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is CN1CC(F)(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ncccc5Cl)CC4)nc3)c3c(C#N)cnn3c2)C1.
What is the InChIKey of 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is IURXPODASSRNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClFN8O2/c1-29(37-28(41)26-24(31)4-3-9-34-26)7-10-39(11-8-29)25-6-5-20(14-35-25)23-12-22(42-19-30(32)17-38(2)18-30)16-40-27(23)21(13-33)15-36-40/h3-6,9,12,14-16H,7-8,10-11,17-19H2,1-2H3,(H,37,41).
What are the key properties of 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 589.08 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134434886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).