N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

C22H26N6O2 — CID 122289576

IUPACN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)CC1
InChIInChI=1S/C22H26N6O2/c1-15-12-16(2)28(27-15)20-13-19(25-14-26-20)23-10-11-24-21(29)22(8-9-22)17-6-4-5-7-18(17)30-3/h4-7,12-14H,8-11H2,1-3H3,(H,24,29)(H,23,25,26)
InChIKeyLIKOWFYHEJKRGC-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.55
Rot. Bonds8

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 122289576) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID122289576
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)CC1
InChIInChI=1S/C22H26N6O2/c1-15-12-16(2)28(27-15)20-13-19(25-14-26-20)23-10-11-24-21(29)22(8-9-22)17-6-4-5-7-18(17)30-3/h4-7,12-14H,8-11H2,1-3H3,(H,24,29)(H,23,25,26)
InChIKeyLIKOWFYHEJKRGC-UHFFFAOYSA-N
XLogP2.55
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(2-methoxyphenyl)acetamide
CID 122289648
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
CID 56699991
1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide
CID 122291065
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-4-methoxybenzamide
CID 122289664
1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 122321142
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-fluorophenoxy)acetamide
CID 122289605
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-pyrrol-1-ylacetamide
CID 122289698
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121072405
1-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-naphthalen-2-ylurea
CID 121072721
(E)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-(2-methylphenyl)prop-2-enamide
CID 122289718
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 121072408
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide
CID 122289638

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 122289576) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)CC1.
What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is LIKOWFYHEJKRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-12-16(2)28(27-15)20-13-19(25-14-26-20)23-10-11-24-21(29)22(8-9-22)17-6-4-5-7-18(17)30-3/h4-7,12-14H,8-11H2,1-3H3,(H,24,29)(H,23,25,26).
What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 122289576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).