N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C20H24FN7O — CID 122324623

IUPACN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCCNc1cc(C)nc(NCCNC(=O)c2cc(-c3ccc(F)cc3)nn2C)n1
InChIInChI=1S/C20H24FN7O/c1-4-22-18-11-13(2)25-20(26-18)24-10-9-23-19(29)17-12-16(27-28(17)3)14-5-7-15(21)8-6-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,29)(H2,22,24,25,26)
InChIKeyWPLPOYRLZYLDPW-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.60
Rot. Bonds8

About N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 122324623) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID122324623
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCCNc1cc(C)nc(NCCNC(=O)c2cc(-c3ccc(F)cc3)nn2C)n1
InChIInChI=1S/C20H24FN7O/c1-4-22-18-11-13(2)25-20(26-18)24-10-9-23-19(29)17-12-16(27-28(17)3)14-5-7-15(21)8-6-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,29)(H2,22,24,25,26)
InChIKeyWPLPOYRLZYLDPW-UHFFFAOYSA-N
XLogP2.60
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.60
H-Bond Donors ≤ 53
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-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122294613
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 122324645
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122324634
3-(4-fluorophenyl)-1-methyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide
CID 122289126
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 122351720
3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide
CID 131703935
4-ethyl-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 70703936
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122293434
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 56700174
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]furan-2-carboxamide
CID 122324472

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 122324623) is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is CCNc1cc(C)nc(NCCNC(=O)c2cc(-c3ccc(F)cc3)nn2C)n1.
What is the InChIKey of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is WPLPOYRLZYLDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c1-4-22-18-11-13(2)25-20(26-18)24-10-9-23-19(29)17-12-16(27-28(17)3)14-5-7-15(21)8-6-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,29)(H2,22,24,25,26).
What are the key properties of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122324623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).