N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide

C22H17Cl2N5O2 — CID 162746580

IUPACN-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(c1ccn2nccc2c1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C22H17Cl2N5O2/c1-14(30)29(17-7-10-28-16(12-17)6-9-26-28)21-11-15(5-8-25-21)27-22(31)13-18-19(23)3-2-4-20(18)24/h2-12H,13H2,1H3,(H,25,27,31)
InChIKeyRUDCPBHIEYXMJR-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.90
Rot. Bonds5

About N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide

N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 162746580) has the molecular formula C22H17Cl2N5O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID162746580
Molecular FormulaC22H17Cl2N5O2
Molecular Weight454.32 g/mol
Exact Mass453.08
IUPAC NameN-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(c1ccn2nccc2c1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C22H17Cl2N5O2/c1-14(30)29(17-7-10-28-16(12-17)6-9-26-28)21-11-15(5-8-25-21)27-22(31)13-18-19(23)3-2-4-20(18)24/h2-12H,13H2,1H3,(H,25,27,31)
InChIKeyRUDCPBHIEYXMJR-UHFFFAOYSA-N
XLogP4.90
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (CID 162746580) is N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is CC(=O)N(c1ccn2nccc2c1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is RUDCPBHIEYXMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2/c1-14(30)29(17-7-10-28-16(12-17)6-9-26-28)21-11-15(5-8-25-21)27-22(31)13-18-19(23)3-2-4-20(18)24/h2-12H,13H2,1H3,(H,25,27,31).
What are the key properties of N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 454.32 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 162746580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).