N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C22H21N7O2 — CID 134450332

IUPACN-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(C2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C22H21N7O2/c30-22(19-6-3-5-17(26-19)15-12-24-25-13-15)27-20-14-29(16-7-10-31-11-8-16)28-21(20)18-4-1-2-9-23-18/h1-6,9,12-14,16H,7-8,10-11H2,(H,24,25)(H,27,30)
InChIKeyXZVKZWUCJFIWDY-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.33
Rot. Bonds5

About N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134450332) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134450332
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(C2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C22H21N7O2/c30-22(19-6-3-5-17(26-19)15-12-24-25-13-15)27-20-14-29(16-7-10-31-11-8-16)28-21(20)18-4-1-2-9-23-18/h1-6,9,12-14,16H,7-8,10-11H2,(H,24,25)(H,27,30)
InChIKeyXZVKZWUCJFIWDY-UHFFFAOYSA-N
XLogP3.33
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 134450332) is N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is O=C(Nc1cn(C2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is XZVKZWUCJFIWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c30-22(19-6-3-5-17(26-19)15-12-24-25-13-15)27-20-14-29(16-7-10-31-11-8-16)28-21(20)18-4-1-2-9-23-18/h1-6,9,12-14,16H,7-8,10-11H2,(H,24,25)(H,27,30).
What are the key properties of N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134450332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).