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

C42H52N14O3 — CID 157316934

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCOC1CCN(c2cccc(-c3cc(N)nc(-n4nc(C)cc4C)n3)n2)CC1.COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1
InChIInChI=1S/C22H27N7O2.C20H25N7O/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28;1-13-11-14(2)27(25-13)20-23-17(12-18(21)24-20)16-5-4-6-19(22-16)26-9-7-15(28-3)8-10-26/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30);4-6,11-12,15H,7-10H2,1-3H3,(H2,21,23,24)
InChIKeyBDRYXQGQBLXXAQ-UHFFFAOYSA-N
MW800.97 g/mol
LogP5.45
Rot. Bonds9

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

2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide (PubChem CID 157316934) has the molecular formula C42H52N14O3 and a molecular weight of 800.97 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide
PubChem CID157316934
Molecular FormulaC42H52N14O3
Molecular Weight800.97 g/mol
Exact Mass800.43
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCOC1CCN(c2cccc(-c3cc(N)nc(-n4nc(C)cc4C)n3)n2)CC1.COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1
InChIInChI=1S/C22H27N7O2.C20H25N7O/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28;1-13-11-14(2)27(25-13)20-23-17(12-18(21)24-20)16-5-4-6-19(22-16)26-9-7-15(28-3)8-10-26/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30);4-6,11-12,15H,7-10H2,1-3H3,(H2,21,23,24)
InChIKeyBDRYXQGQBLXXAQ-UHFFFAOYSA-N
XLogP5.45
TPSA193.04 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500800.97
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide with MolForge

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069914
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-methoxyethyl)(methyl)amino]pyridin-2-yl}pyrimidin-4-yl]acetamide
CID 25074004
Acetamide, N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxy-1-piperidinyl)-2-pyridinyl]-4-pyrimidinyl]-
CID 25074316
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138086
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138087
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138088
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138090
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138091
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(1,4-oxazepan-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138089
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-hydroxypiperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138092
6-(aminomethyl)pyridin-2-amine;6-(aminomethyl)-1H-pyridin-2-one;(3,5-dimethylpyrazol-1-yl)methanamine;(3,5-dimethyl-1,2,4-triazol-1-yl)methanamine;(6-methyl-2-pyridinyl)methanamine;morpholin-3-ylmethanamine;piperidin-2-ylmethanamine;[6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 161252414
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 25150228

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide (CID 157316934) is 2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide is COC1CCN(c2cccc(-c3cc(N)nc(-n4nc(C)cc4C)n3)n2)CC1.COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?
The InChIKey is BDRYXQGQBLXXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2.C20H25N7O/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28;1-13-11-14(2)27(25-13)20-23-17(12-18(21)24-20)16-5-4-6-19(22-16)26-9-7-15(28-3)8-10-26/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30);4-6,11-12,15H,7-10H2,1-3H3,(H2,21,23,24).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide has a molecular weight of 800.97 g/mol, XLogP of 5.45, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 157316934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).