[(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine

C15H22FN5 — CID 88929691

IUPAC[(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine
SMILESC=c1[nH]cc/c1=C1/C(CN)N=C(C)N1C1CCNCC1F
InChIInChI=1S/C15H22FN5/c1-9-11(3-6-19-9)15-13(7-17)20-10(2)21(15)14-4-5-18-8-12(14)16/h3,6,12-14,18-19H,1,4-5,7-8,17H2,2H3/b15-11+
InChIKeyKWTHBOZXQMVWJY-RVDMUPIBSA-N
MW291.37 g/mol
LogP-0.71
Rot. Bonds2

About [(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine

[(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine (PubChem CID 88929691) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is [(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine
PubChem CID88929691
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC Name[(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine
SMILESC=c1[nH]cc/c1=C1/C(CN)N=C(C)N1C1CCNCC1F
InChIInChI=1S/C15H22FN5/c1-9-11(3-6-19-9)15-13(7-17)20-10(2)21(15)14-4-5-18-8-12(14)16/h3,6,12-14,18-19H,1,4-5,7-8,17H2,2H3/b15-11+
InChIKeyKWTHBOZXQMVWJY-RVDMUPIBSA-N
XLogP-0.71
TPSA69.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine?
The IUPAC name of [(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine (CID 88929691) is [(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine.
What is the SMILES notation for [(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine?
The canonical SMILES for [(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine is C=c1[nH]cc/c1=C1/C(CN)N=C(C)N1C1CCNCC1F.
What is the InChIKey of [(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine?
The InChIKey is KWTHBOZXQMVWJY-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H22FN5/c1-9-11(3-6-19-9)15-13(7-17)20-10(2)21(15)14-4-5-18-8-12(14)16/h3,6,12-14,18-19H,1,4-5,7-8,17H2,2H3/b15-11+.
What are the key properties of [(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine?
[(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine has a molecular weight of 291.37 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine is sourced from PubChem (CID 88929691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).