3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C22H23N7O3 — CID 175816595

IUPAC3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2ccc(-c3cn[nH]c3)nc2C(N)=O)c(-c2ccc(OCC(C)(C)O)cn2)n1
InChIInChI=1S/C22H23N7O3/c1-22(2,31)12-32-14-4-6-18(24-10-14)19-16(11-29(3)28-19)15-5-7-17(13-8-25-26-9-13)27-20(15)21(23)30/h4-11,31H,12H2,1-3H3,(H2,23,30)(H,25,26)
InChIKeyIQFMEEVTQOCOKH-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.18
Rot. Bonds7

About 3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 175816595) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID175816595
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(-c2ccc(-c3cn[nH]c3)nc2C(N)=O)c(-c2ccc(OCC(C)(C)O)cn2)n1
InChIInChI=1S/C22H23N7O3/c1-22(2,31)12-32-14-4-6-18(24-10-14)19-16(11-29(3)28-19)15-5-7-17(13-8-25-26-9-13)27-20(15)21(23)30/h4-11,31H,12H2,1-3H3,(H2,23,30)(H,25,26)
InChIKeyIQFMEEVTQOCOKH-UHFFFAOYSA-N
XLogP2.18
TPSA144.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 175816595) is 3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(-c2ccc(-c3cn[nH]c3)nc2C(N)=O)c(-c2ccc(OCC(C)(C)O)cn2)n1.
What is the InChIKey of 3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is IQFMEEVTQOCOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-22(2,31)12-32-14-4-6-18(24-10-14)19-16(11-29(3)28-19)15-5-7-17(13-8-25-26-9-13)27-20(15)21(23)30/h4-11,31H,12H2,1-3H3,(H2,23,30)(H,25,26).
What are the key properties of 3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 175816595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).