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

C20H28FN5O2 — CID 44621064

IUPACN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CC(C)(C)CN3CCCCC3)c2F)cn1
InChIInChI=1S/C20H28FN5O2/c1-20(2,13-26-9-5-4-6-10-26)11-15(27)23-19-17(21)18(24-25-19)14-7-8-16(28-3)22-12-14/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,23,24,25,27)
InChIKeyNNAKOKQIHQCHCI-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.46
Rot. Bonds7

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

N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide (PubChem CID 44621064) has the molecular formula C20H28FN5O2 and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
PubChem CID44621064
Molecular FormulaC20H28FN5O2
Molecular Weight389.48 g/mol
Exact Mass389.22
IUPAC NameN-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CC(C)(C)CN3CCCCC3)c2F)cn1
InChIInChI=1S/C20H28FN5O2/c1-20(2,13-26-9-5-4-6-10-26)11-15(27)23-19-17(21)18(24-25-19)14-7-8-16(28-3)22-12-14/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,23,24,25,27)
InChIKeyNNAKOKQIHQCHCI-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

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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]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide (CID 44621064) is N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide is COc1ccc(-c2[nH]nc(NC(=O)CC(C)(C)CN3CCCCC3)c2F)cn1.
What is the InChIKey of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The InChIKey is NNAKOKQIHQCHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O2/c1-20(2,13-26-9-5-4-6-10-26)11-15(27)23-19-17(21)18(24-25-19)14-7-8-16(28-3)22-12-14/h7-8,12H,4-6,9-11,13H2,1-3H3,(H2,23,24,25,27).
What are the key properties of N-[4-fluoro-5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
N-[4-fluoro-5-(6-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-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).