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

C20H28FN5O2 — CID 44621065

IUPACN-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCOc1cncc(-c2[nH]nc(NC(=O)CC(C)(C)CN3CCCCC3)c2F)c1
InChIInChI=1S/C20H28FN5O2/c1-20(2,13-26-7-5-4-6-8-26)10-16(27)23-19-17(21)18(24-25-19)14-9-15(28-3)12-22-11-14/h9,11-12H,4-8,10,13H2,1-3H3,(H2,23,24,25,27)
InChIKeyVWDRJENQMLBRIP-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.46
Rot. Bonds7

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

N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide (PubChem CID 44621065) has the molecular formula C20H28FN5O2 and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
PubChem CID44621065
Molecular FormulaC20H28FN5O2
Molecular Weight389.48 g/mol
Exact Mass389.22
IUPAC NameN-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCOc1cncc(-c2[nH]nc(NC(=O)CC(C)(C)CN3CCCCC3)c2F)c1
InChIInChI=1S/C20H28FN5O2/c1-20(2,13-26-7-5-4-6-8-26)10-16(27)23-19-17(21)18(24-25-19)14-9-15(28-3)12-22-11-14/h9,11-12H,4-8,10,13H2,1-3H3,(H2,23,24,25,27)
InChIKeyVWDRJENQMLBRIP-UHFFFAOYSA-N
XLogP3.46
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide (CID 44621065) is N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide is COc1cncc(-c2[nH]nc(NC(=O)CC(C)(C)CN3CCCCC3)c2F)c1.
What is the InChIKey of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The InChIKey is VWDRJENQMLBRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O2/c1-20(2,13-26-7-5-4-6-8-26)10-16(27)23-19-17(21)18(24-25-19)14-9-15(28-3)12-22-11-14/h9,11-12H,4-8,10,13H2,1-3H3,(H2,23,24,25,27).
What are the key properties of N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
N-[4-fluoro-5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide has a molecular weight of 389.48 g/mol, XLogP of 3.46, 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-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).