N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C29H32FN7O2 — CID 89458802

IUPACN-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(O)CC6)c5)cc34)cn2)C1
InChIInChI=1S/C29H32FN7O2/c1-29(30)8-11-37(18-29)26-5-3-22(16-32-26)33-28(39)27-24-13-20(2-4-25(24)34-35-27)21-12-19(14-31-15-21)17-36-9-6-23(38)7-10-36/h2-5,12-16,23,38H,6-11,17-18H2,1H3,(H,33,39)(H,34,35)
InChIKeyZAILDXWRTUJXRJ-UHFFFAOYSA-N
MW529.62 g/mol
LogP4.17
Rot. Bonds6

About N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89458802) has the molecular formula C29H32FN7O2 and a molecular weight of 529.62 g/mol. Its IUPAC name is N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89458802
Molecular FormulaC29H32FN7O2
Molecular Weight529.62 g/mol
Exact Mass529.26
IUPAC NameN-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(O)CC6)c5)cc34)cn2)C1
InChIInChI=1S/C29H32FN7O2/c1-29(30)8-11-37(18-29)26-5-3-22(16-32-26)33-28(39)27-24-13-20(2-4-25(24)34-35-27)21-12-19(14-31-15-21)17-36-9-6-23(38)7-10-36/h2-5,12-16,23,38H,6-11,17-18H2,1H3,(H,33,39)(H,34,35)
InChIKeyZAILDXWRTUJXRJ-UHFFFAOYSA-N
XLogP4.17
TPSA110.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89458802) is N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is CC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(O)CC6)c5)cc34)cn2)C1.
What is the InChIKey of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is ZAILDXWRTUJXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7O2/c1-29(30)8-11-37(18-29)26-5-3-22(16-32-26)33-28(39)27-24-13-20(2-4-25(24)34-35-27)21-12-19(14-31-15-21)17-36-9-6-23(38)7-10-36/h2-5,12-16,23,38H,6-11,17-18H2,1H3,(H,33,39)(H,34,35).
What are the key properties of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 529.62 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).