N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide

C22H27N7O2 — CID 25074003

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCOC1CCN(c2cc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)ccn2)CC1
InChIInChI=1S/C22H27N7O2/c1-14-11-15(2)29(27-14)22-25-19(13-20(26-22)24-16(3)30)17-5-8-23-21(12-17)28-9-6-18(31-4)7-10-28/h5,8,11-13,18H,6-7,9-10H2,1-4H3,(H,24,25,26,30)
InChIKeyCWKINWDFACIBHY-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide (PubChem CID 25074003) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide
PubChem CID25074003
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCOC1CCN(c2cc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)ccn2)CC1
InChIInChI=1S/C22H27N7O2/c1-14-11-15(2)29(27-14)22-25-19(13-20(26-22)24-16(3)30)17-5-8-23-21(12-17)28-9-6-18(31-4)7-10-28/h5,8,11-13,18H,6-7,9-10H2,1-4H3,(H,24,25,26,30)
InChIKeyCWKINWDFACIBHY-UHFFFAOYSA-N
XLogP2.91
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide (CID 25074003) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide is COC1CCN(c2cc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)ccn2)CC1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide?
The InChIKey is CWKINWDFACIBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14-11-15(2)29(27-14)22-25-19(13-20(26-22)24-16(3)30)17-5-8-23-21(12-17)28-9-6-18(31-4)7-10-28/h5,8,11-13,18H,6-7,9-10H2,1-4H3,(H,24,25,26,30).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide has a molecular weight of 421.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[2-(4-methoxypiperidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25074003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).