N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide

C25H32FN5O3 — CID 137484757

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1c(F)nn2C)C1CCOCC1
InChIInChI=1S/C25H32FN5O3/c1-6-31(17-7-9-34-10-8-17)22-16(4)18(12-20-21(22)23(26)29-30(20)5)24(32)27-13-19-14(2)11-15(3)28-25(19)33/h11-12,17H,6-10,13H2,1-5H3,(H,27,32)(H,28,33)
InChIKeyOBKVODVUVGSNEH-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.26
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide (PubChem CID 137484757) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide
PubChem CID137484757
Molecular FormulaC25H32FN5O3
Molecular Weight469.56 g/mol
Exact Mass469.25
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1c(F)nn2C)C1CCOCC1
InChIInChI=1S/C25H32FN5O3/c1-6-31(17-7-9-34-10-8-17)22-16(4)18(12-20-21(22)23(26)29-30(20)5)24(32)27-13-19-14(2)11-15(3)28-25(19)33/h11-12,17H,6-10,13H2,1-5H3,(H,27,32)(H,28,33)
InChIKeyOBKVODVUVGSNEH-UHFFFAOYSA-N
XLogP3.26
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide (CID 137484757) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide is CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c1c(F)nn2C)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide?
The InChIKey is OBKVODVUVGSNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-6-31(17-7-9-34-10-8-17)22-16(4)18(12-20-21(22)23(26)29-30(20)5)24(32)27-13-19-14(2)11-15(3)28-25(19)33/h11-12,17H,6-10,13H2,1-5H3,(H,27,32)(H,28,33).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-fluoro-1,5-dimethylindazole-6-carboxamide is sourced from PubChem (CID 137484757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).