3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide

C29H31ClN8O2 — CID 134435365

IUPAC3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4ncccc4Cl)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H31ClN8O2/c1-4-40-22-14-23(27-21(15-31)17-34-38(27)18-22)20-7-8-25(33-16-20)37-12-9-29(10-13-37,19-36(2)3)35-28(39)26-24(30)6-5-11-32-26/h5-8,11,14,16-18H,4,9-10,12-13,19H2,1-3H3,(H,35,39)
InChIKeyIYKHJTZGKNJOLA-UHFFFAOYSA-N
MW559.07 g/mol
LogP4.05
Rot. Bonds8

About 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide

3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134435365) has the molecular formula C29H31ClN8O2 and a molecular weight of 559.07 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID134435365
Molecular FormulaC29H31ClN8O2
Molecular Weight559.07 g/mol
Exact Mass558.23
IUPAC Name3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4ncccc4Cl)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H31ClN8O2/c1-4-40-22-14-23(27-21(15-31)17-34-38(27)18-22)20-7-8-25(33-16-20)37-12-9-29(10-13-37,19-36(2)3)35-28(39)26-24(30)6-5-11-32-26/h5-8,11,14,16-18H,4,9-10,12-13,19H2,1-3H3,(H,35,39)
InChIKeyIYKHJTZGKNJOLA-UHFFFAOYSA-N
XLogP4.05
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.07
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-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-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 134435365) is 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide is CCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4ncccc4Cl)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is IYKHJTZGKNJOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN8O2/c1-4-40-22-14-23(27-21(15-31)17-34-38(27)18-22)20-7-8-25(33-16-20)37-12-9-29(10-13-37,19-36(2)3)35-28(39)26-24(30)6-5-11-32-26/h5-8,11,14,16-18H,4,9-10,12-13,19H2,1-3H3,(H,35,39).
What are the key properties of 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide?
3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 559.07 g/mol, XLogP of 4.05, 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-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134435365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).