N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C25H24FN5O2 — CID 67985820

IUPACN-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NN4CCCC(Oc5ccccc5F)C4)cc23)ccn1
InChIInChI=1S/C25H24FN5O2/c1-16-13-17(10-11-27-16)24-20-14-18(8-9-22(20)28-29-24)25(32)30-31-12-4-5-19(15-31)33-23-7-3-2-6-21(23)26/h2-3,6-11,13-14,19H,4-5,12,15H2,1H3,(H,28,29)(H,30,32)
InChIKeyAPDTWMCQOIVEAE-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.26
Rot. Bonds5

About N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 67985820) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID67985820
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3ccc(C(=O)NN4CCCC(Oc5ccccc5F)C4)cc23)ccn1
InChIInChI=1S/C25H24FN5O2/c1-16-13-17(10-11-27-16)24-20-14-18(8-9-22(20)28-29-24)25(32)30-31-12-4-5-19(15-31)33-23-7-3-2-6-21(23)26/h2-3,6-11,13-14,19H,4-5,12,15H2,1H3,(H,28,29)(H,30,32)
InChIKeyAPDTWMCQOIVEAE-UHFFFAOYSA-N
XLogP4.26
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 67985820) is N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is Cc1cc(-c2n[nH]c3ccc(C(=O)NN4CCCC(Oc5ccccc5F)C4)cc23)ccn1.
What is the InChIKey of N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is APDTWMCQOIVEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-16-13-17(10-11-27-16)24-20-14-18(8-9-22(20)28-29-24)25(32)30-31-12-4-5-19(15-31)33-23-7-3-2-6-21(23)26/h2-3,6-11,13-14,19H,4-5,12,15H2,1H3,(H,28,29)(H,30,32).
What are the key properties of N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67985820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).