N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide

C23H25FN4O — CID 118381204

IUPACN-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CC1)c1n[nH]c2ccc(-c3cc(F)cc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C23H25FN4O/c24-18-11-15(14-28-8-2-1-3-9-28)10-17(12-18)16-4-7-21-20(13-16)22(27-26-21)23(29)25-19-5-6-19/h4,7,10-13,19H,1-3,5-6,8-9,14H2,(H,25,29)(H,26,27)
InChIKeyQBICVULYPZHONS-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.25
Rot. Bonds5

About N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide

N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 118381204) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID118381204
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CC1)c1n[nH]c2ccc(-c3cc(F)cc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C23H25FN4O/c24-18-11-15(14-28-8-2-1-3-9-28)10-17(12-18)16-4-7-21-20(13-16)22(27-26-21)23(29)25-19-5-6-19/h4,7,10-13,19H,1-3,5-6,8-9,14H2,(H,25,29)(H,26,27)
InChIKeyQBICVULYPZHONS-UHFFFAOYSA-N
XLogP4.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (CID 118381204) is N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is O=C(NC1CC1)c1n[nH]c2ccc(-c3cc(F)cc(CN4CCCCC4)c3)cc12.
What is the InChIKey of N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is QBICVULYPZHONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c24-18-11-15(14-28-8-2-1-3-9-28)10-17(12-18)16-4-7-21-20(13-16)22(27-26-21)23(29)25-19-5-6-19/h4,7,10-13,19H,1-3,5-6,8-9,14H2,(H,25,29)(H,26,27).
What are the key properties of N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).