N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

C18H24FN5O2 — CID 44621099

IUPACN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CCCN3CCCCC3)c2F)cn1
InChIInChI=1S/C18H24FN5O2/c1-26-15-8-7-13(12-20-15)17-16(19)18(23-22-17)21-14(25)6-5-11-24-9-3-2-4-10-24/h7-8,12H,2-6,9-11H2,1H3,(H2,21,22,23,25)
InChIKeyAYYYQBBIXVEAFL-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.82
Rot. Bonds7

About N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 44621099) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID44621099
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC NameN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CCCN3CCCCC3)c2F)cn1
InChIInChI=1S/C18H24FN5O2/c1-26-15-8-7-13(12-20-15)17-16(19)18(23-22-17)21-14(25)6-5-11-24-9-3-2-4-10-24/h7-8,12H,2-6,9-11H2,1H3,(H2,21,22,23,25)
InChIKeyAYYYQBBIXVEAFL-UHFFFAOYSA-N
XLogP2.82
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 44621099) is N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is COc1ccc(-c2[nH]nc(NC(=O)CCCN3CCCCC3)c2F)cn1.
What is the InChIKey of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is AYYYQBBIXVEAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-26-15-8-7-13(12-20-15)17-16(19)18(23-22-17)21-14(25)6-5-11-24-9-3-2-4-10-24/h7-8,12H,2-6,9-11H2,1H3,(H2,21,22,23,25).
What are the key properties of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 361.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).