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

C30H32FN7O2 — CID 89451305

IUPAC5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(C(=O)N6CCCC6)nc5)c4c3)c2)CC1
InChIInChI=1S/C30H32FN7O2/c1-30(31)8-12-37(13-9-30)19-20-14-22(17-32-16-20)21-4-6-25-24(15-21)27(36-35-25)28(39)34-23-5-7-26(33-18-23)29(40)38-10-2-3-11-38/h4-7,14-18H,2-3,8-13,19H2,1H3,(H,34,39)(H,35,36)
InChIKeyWHWVGKWVJKBTPT-UHFFFAOYSA-N
MW541.63 g/mol
LogP4.83
Rot. Bonds6

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

5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451305) has the molecular formula C30H32FN7O2 and a molecular weight of 541.63 g/mol. Its IUPAC name is 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89451305
Molecular FormulaC30H32FN7O2
Molecular Weight541.63 g/mol
Exact Mass541.26
IUPAC Name5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESCC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(C(=O)N6CCCC6)nc5)c4c3)c2)CC1
InChIInChI=1S/C30H32FN7O2/c1-30(31)8-12-37(13-9-30)19-20-14-22(17-32-16-20)21-4-6-25-24(15-21)27(36-35-25)28(39)34-23-5-7-26(33-18-23)29(40)38-10-2-3-11-38/h4-7,14-18H,2-3,8-13,19H2,1H3,(H,34,39)(H,35,36)
InChIKeyWHWVGKWVJKBTPT-UHFFFAOYSA-N
XLogP4.83
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.63
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451305) is 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-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-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CC1(F)CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(C(=O)N6CCCC6)nc5)c4c3)c2)CC1.
What is the InChIKey of 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is WHWVGKWVJKBTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O2/c1-30(31)8-12-37(13-9-30)19-20-14-22(17-32-16-20)21-4-6-25-24(15-21)27(36-35-25)28(39)34-23-5-7-26(33-18-23)29(40)38-10-2-3-11-38/h4-7,14-18H,2-3,8-13,19H2,1H3,(H,34,39)(H,35,36).
What are the key properties of 5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 541.63 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).