N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide

C24H24FN5O2 — CID 59200027

IUPACN-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(CCC(C)(C)O)c2cc(F)ccc21
InChIInChI=1S/C24H24FN5O2/c1-15-19(13-27-22(28-15)20-6-4-5-11-26-20)23(31)29-30-14-16(9-10-24(2,3)32)18-12-17(25)7-8-21(18)30/h4-8,11-14,32H,9-10H2,1-3H3,(H,29,31)
InChIKeyUOBRLKNBXFFWRA-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.03
Rot. Bonds6

About N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide

N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 59200027) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID59200027
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(CCC(C)(C)O)c2cc(F)ccc21
InChIInChI=1S/C24H24FN5O2/c1-15-19(13-27-22(28-15)20-6-4-5-11-26-20)23(31)29-30-14-16(9-10-24(2,3)32)18-12-17(25)7-8-21(18)30/h4-8,11-14,32H,9-10H2,1-3H3,(H,29,31)
InChIKeyUOBRLKNBXFFWRA-UHFFFAOYSA-N
XLogP4.03
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 59200027) is N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide is Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(CCC(C)(C)O)c2cc(F)ccc21.
What is the InChIKey of N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is UOBRLKNBXFFWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-15-19(13-27-22(28-15)20-6-4-5-11-26-20)23(31)29-30-14-16(9-10-24(2,3)32)18-12-17(25)7-8-21(18)30/h4-8,11-14,32H,9-10H2,1-3H3,(H,29,31).
What are the key properties of N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59200027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).