[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone

C25H32FN5O — CID 44622417

IUPAC[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone
SMILESNc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccccc5C4)CC3)CC2)ccn1
InChIInChI=1S/C25H32FN5O/c26-25(8-13-29(14-9-25)16-19-5-10-28-23(27)15-19)24(32)30-11-6-22(7-12-30)31-17-20-3-1-2-4-21(20)18-31/h1-5,10,15,22H,6-9,11-14,16-18H2,(H2,27,28)
InChIKeyBYPZYWWDUSSBJF-UHFFFAOYSA-N
MW437.56 g/mol
LogP2.97
Rot. Bonds4

About [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone

[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone (PubChem CID 44622417) has the molecular formula C25H32FN5O and a molecular weight of 437.56 g/mol. Its IUPAC name is [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone
PubChem CID44622417
Molecular FormulaC25H32FN5O
Molecular Weight437.56 g/mol
Exact Mass437.26
IUPAC Name[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone
SMILESNc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccccc5C4)CC3)CC2)ccn1
InChIInChI=1S/C25H32FN5O/c26-25(8-13-29(14-9-25)16-19-5-10-28-23(27)15-19)24(32)30-11-6-22(7-12-30)31-17-20-3-1-2-4-21(20)18-31/h1-5,10,15,22H,6-9,11-14,16-18H2,(H2,27,28)
InChIKeyBYPZYWWDUSSBJF-UHFFFAOYSA-N
XLogP2.97
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone (CID 44622417) is [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone is Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5ccccc5C4)CC3)CC2)ccn1.
What is the InChIKey of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone?
The InChIKey is BYPZYWWDUSSBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O/c26-25(8-13-29(14-9-25)16-19-5-10-28-23(27)15-19)24(32)30-11-6-22(7-12-30)31-17-20-3-1-2-4-21(20)18-31/h1-5,10,15,22H,6-9,11-14,16-18H2,(H2,27,28).
What are the key properties of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone?
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone has a molecular weight of 437.56 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 44622417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).