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

C28H30FN7O2 — CID 89458862

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

N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89458862) has the molecular formula C28H30FN7O2 and a molecular weight of 515.59 g/mol. Its IUPAC name is N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89458862
• Molecular Formula: C28H30FN7O2
• Molecular Weight: 515.59 g/mol
• Exact Mass: 515.24
• IUPAC Name: N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCOCC6)c5)cc34)cn2)C1
• InChI: InChI=1S/C28H30FN7O2/c1-28(29)6-7-36(18-28)25-5-3-22(16-31-25)32-27(37)26-23-13-20(2-4-24(23)33-34-26)21-12-19(14-30-15-21)17-35-8-10-38-11-9-35/h2-5,12-16H,6-11,17-18H2,1H3,(H,32,37)(H,33,34)
• InChIKey: FJENLXAYIRIORJ-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 99.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.59
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89458862) is N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CC1(F)CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCOCC6)c5)cc34)cn2)C1.

What is the InChIKey of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is FJENLXAYIRIORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O2/c1-28(29)6-7-36(18-28)25-5-3-22(16-31-25)32-27(37)26-23-13-20(2-4-24(23)33-34-26)21-12-19(14-30-15-21)17-35-8-10-38-11-9-35/h2-5,12-16H,6-11,17-18H2,1H3,(H,32,37)(H,33,34).

What are the key properties of N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 515.59 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 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-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).