3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide

C20H14ClN7O — CID 90157076

IUPAC3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCN(C(=O)c1ccn2ncc(-c3cnc(Cl)c(N)c3)c2c1)c1ccc(C#N)cn1
InChIInChI=1S/C20H14ClN7O/c1-27(18-3-2-12(8-22)9-24-18)20(29)13-4-5-28-17(7-13)15(11-26-28)14-6-16(23)19(21)25-10-14/h2-7,9-11H,23H2,1H3
InChIKeyDUOVQOGMQOZJDE-UHFFFAOYSA-N
MW403.83 g/mol
LogP3.18
Rot. Bonds3

About 3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide

3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 90157076) has the molecular formula C20H14ClN7O and a molecular weight of 403.83 g/mol. Its IUPAC name is 3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID90157076
Molecular FormulaC20H14ClN7O
Molecular Weight403.83 g/mol
Exact Mass403.09
IUPAC Name3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCN(C(=O)c1ccn2ncc(-c3cnc(Cl)c(N)c3)c2c1)c1ccc(C#N)cn1
InChIInChI=1S/C20H14ClN7O/c1-27(18-3-2-12(8-22)9-24-18)20(29)13-4-5-28-17(7-13)15(11-26-28)14-6-16(23)19(21)25-10-14/h2-7,9-11H,23H2,1H3
InChIKeyDUOVQOGMQOZJDE-UHFFFAOYSA-N
XLogP3.18
TPSA113.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.83
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide (CID 90157076) is 3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide is CN(C(=O)c1ccn2ncc(-c3cnc(Cl)c(N)c3)c2c1)c1ccc(C#N)cn1.
What is the InChIKey of 3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is DUOVQOGMQOZJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN7O/c1-27(18-3-2-12(8-22)9-24-18)20(29)13-4-5-28-17(7-13)15(11-26-28)14-6-16(23)19(21)25-10-14/h2-7,9-11H,23H2,1H3.
What are the key properties of 3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 403.83 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 90157076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).