[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

C19H21FN4O — CID 71878643

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
SMILESO=C(N1CCC(Nc2cccnn2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN4O/c20-15-5-3-14(4-6-15)19(9-10-19)18(25)24-12-7-16(8-13-24)22-17-2-1-11-21-23-17/h1-6,11,16H,7-10,12-13H2,(H,22,23)
InChIKeyNSYFFDVYGOEICU-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.75
Rot. Bonds4

About [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone (PubChem CID 71878643) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
PubChem CID71878643
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
SMILESO=C(N1CCC(Nc2cccnn2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN4O/c20-15-5-3-14(4-6-15)19(9-10-19)18(25)24-12-7-16(8-13-24)22-17-2-1-11-21-23-17/h1-6,11,16H,7-10,12-13H2,(H,22,23)
InChIKeyNSYFFDVYGOEICU-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone (CID 71878643) is [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone is O=C(N1CCC(Nc2cccnn2)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The InChIKey is NSYFFDVYGOEICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-15-5-3-14(4-6-15)19(9-10-19)18(25)24-12-7-16(8-13-24)22-17-2-1-11-21-23-17/h1-6,11,16H,7-10,12-13H2,(H,22,23).
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone has a molecular weight of 340.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 71878643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).