[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone

C24H31FN6O — CID 58285100

IUPAC[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone
SMILESNc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5cccnc5C4)CC3)CC2)ccn1
InChIInChI=1S/C24H31FN6O/c25-24(6-12-29(13-7-24)15-18-3-9-28-22(26)14-18)23(32)30-10-4-20(5-11-30)31-16-19-2-1-8-27-21(19)17-31/h1-3,8-9,14,20H,4-7,10-13,15-17H2,(H2,26,28)
InChIKeyUCIYVMWYWYHGNV-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.37
Rot. Bonds4

About [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone

[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone (PubChem CID 58285100) has the molecular formula C24H31FN6O and a molecular weight of 438.55 g/mol. Its IUPAC name is [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone
PubChem CID58285100
Molecular FormulaC24H31FN6O
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone
SMILESNc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5cccnc5C4)CC3)CC2)ccn1
InChIInChI=1S/C24H31FN6O/c25-24(6-12-29(13-7-24)15-18-3-9-28-22(26)14-18)23(32)30-10-4-20(5-11-30)31-16-19-2-1-8-27-21(19)17-31/h1-3,8-9,14,20H,4-7,10-13,15-17H2,(H2,26,28)
InChIKeyUCIYVMWYWYHGNV-UHFFFAOYSA-N
XLogP2.37
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone (CID 58285100) is [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone is Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5cccnc5C4)CC3)CC2)ccn1.
What is the InChIKey of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
The InChIKey is UCIYVMWYWYHGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O/c25-24(6-12-29(13-7-24)15-18-3-9-28-22(26)14-18)23(32)30-10-4-20(5-11-30)31-16-19-2-1-8-27-21(19)17-31/h1-3,8-9,14,20H,4-7,10-13,15-17H2,(H2,26,28).
What are the key properties of [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone?
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone has a molecular weight of 438.55 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 58285100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).