N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide

C23H24BN5O3 — CID 163766426

IUPACN-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESC=C(C)N(C(=O)c1ccn2ncc(B3OC(C)(C)C(C)(C)O3)c2c1)c1ccc(C#N)cn1
InChIInChI=1S/C23H24BN5O3/c1-15(2)29(20-8-7-16(12-25)13-26-20)21(30)17-9-10-28-19(11-17)18(14-27-28)24-31-22(3,4)23(5,6)32-24/h7-11,13-14H,1H2,2-6H3
InChIKeyMCRHXTVZFUMKAY-UHFFFAOYSA-N
MW429.29 g/mol
LogP3.08
Rot. Bonds4

About N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide

N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 163766426) has the molecular formula C23H24BN5O3 and a molecular weight of 429.29 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID163766426
Molecular FormulaC23H24BN5O3
Molecular Weight429.29 g/mol
Exact Mass429.20
IUPAC NameN-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESC=C(C)N(C(=O)c1ccn2ncc(B3OC(C)(C)C(C)(C)O3)c2c1)c1ccc(C#N)cn1
InChIInChI=1S/C23H24BN5O3/c1-15(2)29(20-8-7-16(12-25)13-26-20)21(30)17-9-10-28-19(11-17)18(14-27-28)24-31-22(3,4)23(5,6)32-24/h7-11,13-14H,1H2,2-6H3
InChIKeyMCRHXTVZFUMKAY-UHFFFAOYSA-N
XLogP3.08
TPSA92.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide (CID 163766426) is N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide is C=C(C)N(C(=O)c1ccn2ncc(B3OC(C)(C)C(C)(C)O3)c2c1)c1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is MCRHXTVZFUMKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BN5O3/c1-15(2)29(20-8-7-16(12-25)13-26-20)21(30)17-9-10-28-19(11-17)18(14-27-28)24-31-22(3,4)23(5,6)32-24/h7-11,13-14H,1H2,2-6H3.
What are the key properties of N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 429.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 163766426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).