N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide

C26H28FN5O2 — CID 123935196

IUPACN-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide
SMILESCn1cc(-c2n[nH]c3ccc(C(=O)NC4CCCN(CC5=C(F)CCC=C5)C4)cc23)ccc1=O
InChIInChI=1S/C26H28FN5O2/c1-31-14-19(9-11-24(31)33)25-21-13-17(8-10-23(21)29-30-25)26(34)28-20-6-4-12-32(16-20)15-18-5-2-3-7-22(18)27/h2,5,8-11,13-14,20H,3-4,6-7,12,15-16H2,1H3,(H,28,34)(H,29,30)
InChIKeyIFJHREREMBXHDL-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.70
Rot. Bonds5

About N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide

N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 123935196) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID123935196
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC NameN-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide
SMILESCn1cc(-c2n[nH]c3ccc(C(=O)NC4CCCN(CC5=C(F)CCC=C5)C4)cc23)ccc1=O
InChIInChI=1S/C26H28FN5O2/c1-31-14-19(9-11-24(31)33)25-21-13-17(8-10-23(21)29-30-25)26(34)28-20-6-4-12-32(16-20)15-18-5-2-3-7-22(18)27/h2,5,8-11,13-14,20H,3-4,6-7,12,15-16H2,1H3,(H,28,34)(H,29,30)
InChIKeyIFJHREREMBXHDL-UHFFFAOYSA-N
XLogP3.70
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide (CID 123935196) is N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide is Cn1cc(-c2n[nH]c3ccc(C(=O)NC4CCCN(CC5=C(F)CCC=C5)C4)cc23)ccc1=O.
What is the InChIKey of N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is IFJHREREMBXHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-31-14-19(9-11-24(31)33)25-21-13-17(8-10-23(21)29-30-25)26(34)28-20-6-4-12-32(16-20)15-18-5-2-3-7-22(18)27/h2,5,8-11,13-14,20H,3-4,6-7,12,15-16H2,1H3,(H,28,34)(H,29,30).
What are the key properties of N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide?
N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 123935196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).