3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide

C29H30ClFN8O2 — CID 134435323

IUPAC3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide
SMILESCN(C)CCOc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncc(F)cc4Cl)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H30ClFN8O2/c1-29(36-28(40)26-24(30)12-21(31)17-34-26)6-8-38(9-7-29)25-5-4-19(15-33-25)23-13-22(41-11-10-37(2)3)18-39-27(23)20(14-32)16-35-39/h4-5,12-13,15-18H,6-11H2,1-3H3,(H,36,40)
InChIKeyOYUSBRJELGCZAR-UHFFFAOYSA-N
MW577.06 g/mol
LogP4.18
Rot. Bonds8

About 3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide

3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 134435323) has the molecular formula C29H30ClFN8O2 and a molecular weight of 577.06 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide
PubChem CID134435323
Molecular FormulaC29H30ClFN8O2
Molecular Weight577.06 g/mol
Exact Mass576.22
IUPAC Name3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide
SMILESCN(C)CCOc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncc(F)cc4Cl)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H30ClFN8O2/c1-29(36-28(40)26-24(30)12-21(31)17-34-26)6-8-38(9-7-29)25-5-4-19(15-33-25)23-13-22(41-11-10-37(2)3)18-39-27(23)20(14-32)16-35-39/h4-5,12-13,15-18H,6-11H2,1-3H3,(H,36,40)
InChIKeyOYUSBRJELGCZAR-UHFFFAOYSA-N
XLogP4.18
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.06
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide (CID 134435323) is 3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide is CN(C)CCOc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncc(F)cc4Cl)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide?
The InChIKey is OYUSBRJELGCZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClFN8O2/c1-29(36-28(40)26-24(30)12-21(31)17-34-26)6-8-38(9-7-29)25-5-4-19(15-33-25)23-13-22(41-11-10-37(2)3)18-39-27(23)20(14-32)16-35-39/h4-5,12-13,15-18H,6-11H2,1-3H3,(H,36,40).
What are the key properties of 3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide?
3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 577.06 g/mol, XLogP of 4.18, 8 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-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 134435323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).