[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone

C21H24FN5O — CID 42606577

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccn4n3)CC2)nc1
InChIInChI=1S/C21H24FN5O/c1-16-5-6-17(24-13-16)14-23-15-21(22)7-10-26(11-8-21)20(28)19-12-18-4-2-3-9-27(18)25-19/h2-6,9,12-13,23H,7-8,10-11,14-15H2,1H3
InChIKeyOITJZSADIJHEIJ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.77
Rot. Bonds5

About [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone (PubChem CID 42606577) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
PubChem CID42606577
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccn4n3)CC2)nc1
InChIInChI=1S/C21H24FN5O/c1-16-5-6-17(24-13-16)14-23-15-21(22)7-10-26(11-8-21)20(28)19-12-18-4-2-3-9-27(18)25-19/h2-6,9,12-13,23H,7-8,10-11,14-15H2,1H3
InChIKeyOITJZSADIJHEIJ-UHFFFAOYSA-N
XLogP2.77
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone (CID 42606577) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccn4n3)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone?
The InChIKey is OITJZSADIJHEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-16-5-6-17(24-13-16)14-23-15-21(22)7-10-26(11-8-21)20(28)19-12-18-4-2-3-9-27(18)25-19/h2-6,9,12-13,23H,7-8,10-11,14-15H2,1H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone has a molecular weight of 381.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone is sourced from PubChem (CID 42606577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).