2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide

C18H28FN5O3 — CID 71073366

IUPAC2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide
SMILESCn1ccc(NC(=O)C(O)C2(NC(=O)C(N)CC3(F)CCCC3)CCC2)n1
InChIInChI=1S/C18H28FN5O3/c1-24-10-5-13(23-24)21-16(27)14(25)18(8-4-9-18)22-15(26)12(20)11-17(19)6-2-3-7-17/h5,10,12,14,25H,2-4,6-9,11,20H2,1H3,(H,22,26)(H,21,23,27)
InChIKeyGXJXOBLBOKOMNT-UHFFFAOYSA-N
MW381.45 g/mol
LogP0.76
Rot. Bonds7

About 2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide

2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide (PubChem CID 71073366) has the molecular formula C18H28FN5O3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide.

Molecular Properties

Compound Name2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide
PubChem CID71073366
Molecular FormulaC18H28FN5O3
Molecular Weight381.45 g/mol
Exact Mass381.22
IUPAC Name2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide
SMILESCn1ccc(NC(=O)C(O)C2(NC(=O)C(N)CC3(F)CCCC3)CCC2)n1
InChIInChI=1S/C18H28FN5O3/c1-24-10-5-13(23-24)21-16(27)14(25)18(8-4-9-18)22-15(26)12(20)11-17(19)6-2-3-7-17/h5,10,12,14,25H,2-4,6-9,11,20H2,1H3,(H,22,26)(H,21,23,27)
InChIKeyGXJXOBLBOKOMNT-UHFFFAOYSA-N
XLogP0.76
TPSA122.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide?
The IUPAC name of 2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide (CID 71073366) is 2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide.
What is the SMILES notation for 2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide?
The canonical SMILES for 2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide is Cn1ccc(NC(=O)C(O)C2(NC(=O)C(N)CC3(F)CCCC3)CCC2)n1.
What is the InChIKey of 2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide?
The InChIKey is GXJXOBLBOKOMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O3/c1-24-10-5-13(23-24)21-16(27)14(25)18(8-4-9-18)22-15(26)12(20)11-17(19)6-2-3-7-17/h5,10,12,14,25H,2-4,6-9,11,20H2,1H3,(H,22,26)(H,21,23,27).
What are the key properties of 2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide?
2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide has a molecular weight of 381.45 g/mol, XLogP of 0.76, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-fluorocyclopentyl)-N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]propanamide is sourced from PubChem (CID 71073366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).