N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide

C25H25FN6O2 — CID 70652912

IUPACN-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnnc4)c3c2)C1
InChIInChI=1S/C25H25FN6O2/c1-34-23-6-2-5-21(26)20(23)15-32-11-3-4-18(14-32)29-25(33)16-7-8-22-19(12-16)24(31-30-22)17-9-10-27-28-13-17/h2,5-10,12-13,18H,3-4,11,14-15H2,1H3,(H,29,33)(H,30,31)/t18-/m1/s1
InChIKeyKXHBTEZXIAACNX-GOSISDBHSA-N
MW460.51 g/mol
LogP3.56
Rot. Bonds6

About N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide

N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide (PubChem CID 70652912) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide
PubChem CID70652912
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC NameN-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnnc4)c3c2)C1
InChIInChI=1S/C25H25FN6O2/c1-34-23-6-2-5-21(26)20(23)15-32-11-3-4-18(14-32)29-25(33)16-7-8-22-19(12-16)24(31-30-22)17-9-10-27-28-13-17/h2,5-10,12-13,18H,3-4,11,14-15H2,1H3,(H,29,33)(H,30,31)/t18-/m1/s1
InChIKeyKXHBTEZXIAACNX-GOSISDBHSA-N
XLogP3.56
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide (CID 70652912) is N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnnc4)c3c2)C1.
What is the InChIKey of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is KXHBTEZXIAACNX-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-34-23-6-2-5-21(26)20(23)15-32-11-3-4-18(14-32)29-25(33)16-7-8-22-19(12-16)24(31-30-22)17-9-10-27-28-13-17/h2,5-10,12-13,18H,3-4,11,14-15H2,1H3,(H,29,33)(H,30,31)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide?
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridazin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).