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

C29H32FN7O2 — CID 89450940

IUPAC5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(N6CCOCC6)nc5)c4c3)c2)CC1
InChIInChI=1S/C29H32FN7O2/c1-29(30)6-8-36(9-7-29)19-20-14-22(17-31-16-20)21-2-4-25-24(15-21)27(35-34-25)28(38)33-23-3-5-26(32-18-23)37-10-12-39-13-11-37/h2-5,14-18H,6-13,19H2,1H3,(H,33,38)(H,34,35)
InChIKeyJNAXEAVRCNZSKC-UHFFFAOYSA-N
MW529.62 g/mol
LogP4.43
Rot. Bonds6

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

5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89450940) has the molecular formula C29H32FN7O2 and a molecular weight of 529.62 g/mol. Its IUPAC name is 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89450940
Molecular FormulaC29H32FN7O2
Molecular Weight529.62 g/mol
Exact Mass529.26
IUPAC Name5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(N6CCOCC6)nc5)c4c3)c2)CC1
InChIInChI=1S/C29H32FN7O2/c1-29(30)6-8-36(9-7-29)19-20-14-22(17-31-16-20)21-2-4-25-24(15-21)27(35-34-25)28(38)33-23-3-5-26(32-18-23)37-10-12-39-13-11-37/h2-5,14-18H,6-13,19H2,1H3,(H,33,38)(H,34,35)
InChIKeyJNAXEAVRCNZSKC-UHFFFAOYSA-N
XLogP4.43
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89450940) is 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is CC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(N6CCOCC6)nc5)c4c3)c2)CC1.
What is the InChIKey of 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is JNAXEAVRCNZSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7O2/c1-29(30)6-8-36(9-7-29)19-20-14-22(17-31-16-20)21-2-4-25-24(15-21)27(35-34-25)28(38)33-23-3-5-26(32-18-23)37-10-12-39-13-11-37/h2-5,14-18H,6-13,19H2,1H3,(H,33,38)(H,34,35).
What are the key properties of 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 529.62 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).