N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C17H20FN7O — CID 166400789

IUPACN-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NCCC3CC(Nc4ncc(F)cn4)C3)c12
InChIInChI=1S/C17H20FN7O/c1-24-4-5-25-16(24)14(10-22-25)15(26)19-3-2-11-6-13(7-11)23-17-20-8-12(18)9-21-17/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,19,26)(H,20,21,23)
InChIKeyNNAAJJIHUIICMS-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.61
Rot. Bonds6

About N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 166400789) has the molecular formula C17H20FN7O and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID166400789
Molecular FormulaC17H20FN7O
Molecular Weight357.39 g/mol
Exact Mass357.17
IUPAC NameN-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCn1ccn2ncc(C(=O)NCCC3CC(Nc4ncc(F)cn4)C3)c12
InChIInChI=1S/C17H20FN7O/c1-24-4-5-25-16(24)14(10-22-25)15(26)19-3-2-11-6-13(7-11)23-17-20-8-12(18)9-21-17/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,19,26)(H,20,21,23)
InChIKeyNNAAJJIHUIICMS-UHFFFAOYSA-N
XLogP1.61
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 166400789) is N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is Cn1ccn2ncc(C(=O)NCCC3CC(Nc4ncc(F)cn4)C3)c12.
What is the InChIKey of N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is NNAAJJIHUIICMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7O/c1-24-4-5-25-16(24)14(10-22-25)15(26)19-3-2-11-6-13(7-11)23-17-20-8-12(18)9-21-17/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,19,26)(H,20,21,23).
What are the key properties of N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(5-fluoropyrimidin-2-yl)amino]cyclobutyl]ethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 166400789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).