[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C21H24FN5O — CID 42606688

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cnn4ccccc34)CC2)nc1
InChIInChI=1S/C21H24FN5O/c1-16-5-6-17(24-12-16)13-23-15-21(22)7-10-26(11-8-21)20(28)18-14-25-27-9-3-2-4-19(18)27/h2-6,9,12,14,23H,7-8,10-11,13,15H2,1H3
InChIKeyXMTJQAZKTVECPQ-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.77
Rot. Bonds5

About [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 42606688) has the molecular formula C21H24FN5O and a molecular weight of 381.45 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID42606688
Molecular FormulaC21H24FN5O
Molecular Weight381.45 g/mol
Exact Mass381.20
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3cnn4ccccc34)CC2)nc1
InChIInChI=1S/C21H24FN5O/c1-16-5-6-17(24-12-16)13-23-15-21(22)7-10-26(11-8-21)20(28)18-14-25-27-9-3-2-4-19(18)27/h2-6,9,12,14,23H,7-8,10-11,13,15H2,1H3
InChIKeyXMTJQAZKTVECPQ-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 ≤ 500381.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone with MolForge

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Related Compounds

Edecesertib
CID 147817927
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CID 68291752
4-{[(1r,3s)-3-Amino-2,2,3-Trimethylcyclopentyl]amino}-6-Phenylpyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 117769575
FR-194921
CID 9821511
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
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CID 16719968
Pyrrolopyridine, 11
CID 16719970
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
3-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)propanamide
CID 49837887
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958908

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-3-ylmethanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 42606688) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3cnn4ccccc34)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is XMTJQAZKTVECPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-16-5-6-17(24-12-16)13-23-15-21(22)7-10-26(11-8-21)20(28)18-14-25-27-9-3-2-4-19(18)27/h2-6,9,12,14,23H,7-8,10-11,13,15H2,1H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 381.45 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-3-ylmethanone is sourced from PubChem (CID 42606688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).