N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C24H22F2N6O2 — CID 118381776

IUPACN-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1c(F)cncc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C24H22F2N6O2/c25-19-11-28-12-20(26)23(19)29-24(34)22-18-8-15(1-2-21(18)30-31-22)16-7-14(9-27-10-16)13-32-5-3-17(33)4-6-32/h1-2,7-12,17,33H,3-6,13H2,(H,30,31)(H,28,29,34)
InChIKeyWUYHGFVMYUUODD-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.51
Rot. Bonds5

About N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381776) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118381776
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1c(F)cncc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C24H22F2N6O2/c25-19-11-28-12-20(26)23(19)29-24(34)22-18-8-15(1-2-21(18)30-31-22)16-7-14(9-27-10-16)13-32-5-3-17(33)4-6-32/h1-2,7-12,17,33H,3-6,13H2,(H,30,31)(H,28,29,34)
InChIKeyWUYHGFVMYUUODD-UHFFFAOYSA-N
XLogP3.51
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381776) is N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1c(F)cncc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is WUYHGFVMYUUODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c25-19-11-28-12-20(26)23(19)29-24(34)22-18-8-15(1-2-21(18)30-31-22)16-7-14(9-27-10-16)13-32-5-3-17(33)4-6-32/h1-2,7-12,17,33H,3-6,13H2,(H,30,31)(H,28,29,34).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).