N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide

C27H26FN5O3 — CID 67997233

IUPACN-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCCC(NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C1=O
InChIInChI=1S/C27H26FN5O3/c1-16-13-17(10-11-29-16)25-19-14-18(8-9-22(19)31-32-25)26(34)30-23-6-4-12-33(27(23)35)15-20-21(28)5-3-7-24(20)36-2/h3,5,7-11,13-14,23H,4,6,12,15H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyVJKUUGCXRUSJGI-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.00
Rot. Bonds6

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

N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (PubChem CID 67997233) has the molecular formula C27H26FN5O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
PubChem CID67997233
Molecular FormulaC27H26FN5O3
Molecular Weight487.54 g/mol
Exact Mass487.20
IUPAC NameN-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCCC(NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C1=O
InChIInChI=1S/C27H26FN5O3/c1-16-13-17(10-11-29-16)25-19-14-18(8-9-22(19)31-32-25)26(34)30-23-6-4-12-33(27(23)35)15-20-21(28)5-3-7-24(20)36-2/h3,5,7-11,13-14,23H,4,6,12,15H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyVJKUUGCXRUSJGI-UHFFFAOYSA-N
XLogP4.00
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide (CID 67997233) is N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is COc1cccc(F)c1CN1CCCC(NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C1=O.
What is the InChIKey of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
The InChIKey is VJKUUGCXRUSJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3/c1-16-13-17(10-11-29-16)25-19-14-18(8-9-22(19)31-32-25)26(34)30-23-6-4-12-33(27(23)35)15-20-21(28)5-3-7-24(20)36-2/h3,5,7-11,13-14,23H,4,6,12,15H2,1-2H3,(H,30,34)(H,31,32).
What are the key properties of N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide?
N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67997233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).