6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C24H24F2N6O — CID 139431401

IUPAC6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)Nc4ccc(CN5CCC(F)CC5)cc4)n[nH]c3cc2F)cn1
InChIInChI=1S/C24H24F2N6O/c1-31-14-16(12-27-31)19-10-20-22(11-21(19)26)29-30-23(20)24(33)28-18-4-2-15(3-5-18)13-32-8-6-17(25)7-9-32/h2-5,10-12,14,17H,6-9,13H2,1H3,(H,28,33)(H,29,30)
InChIKeyPDYHQHLQZFRADG-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.29
Rot. Bonds5

About 6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431401) has the molecular formula C24H24F2N6O and a molecular weight of 450.49 g/mol. Its IUPAC name is 6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431401
Molecular FormulaC24H24F2N6O
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)Nc4ccc(CN5CCC(F)CC5)cc4)n[nH]c3cc2F)cn1
InChIInChI=1S/C24H24F2N6O/c1-31-14-16(12-27-31)19-10-20-22(11-21(19)26)29-30-23(20)24(33)28-18-4-2-15(3-5-18)13-32-8-6-17(25)7-9-32/h2-5,10-12,14,17H,6-9,13H2,1H3,(H,28,33)(H,29,30)
InChIKeyPDYHQHLQZFRADG-UHFFFAOYSA-N
XLogP4.29
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431401) is 6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2cc3c(C(=O)Nc4ccc(CN5CCC(F)CC5)cc4)n[nH]c3cc2F)cn1.
What is the InChIKey of 6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is PDYHQHLQZFRADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O/c1-31-14-16(12-27-31)19-10-20-22(11-21(19)26)29-30-23(20)24(33)28-18-4-2-15(3-5-18)13-32-8-6-17(25)7-9-32/h2-5,10-12,14,17H,6-9,13H2,1H3,(H,28,33)(H,29,30).
What are the key properties of 6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).