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

C25H34FN5O3 — CID 137484843

IUPAC4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2=C(C)C=C(C)NC2O)cc2c1c(F)nn2C)C1CCOCC1
InChIInChI=1S/C25H34FN5O3/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/h11-12,17,25,28,33H,6-10,13H2,1-5H3,(H,27,32)
InChIKeyRRGGULINEZPGMA-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.90
Rot. Bonds6

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

4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide (PubChem CID 137484843) has the molecular formula C25H34FN5O3 and a molecular weight of 471.58 g/mol. Its IUPAC name is 4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide.

Molecular Properties

Compound Name4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
PubChem CID137484843
Molecular FormulaC25H34FN5O3
Molecular Weight471.58 g/mol
Exact Mass471.26
IUPAC Name4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2=C(C)C=C(C)NC2O)cc2c1c(F)nn2C)C1CCOCC1
InChIInChI=1S/C25H34FN5O3/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/h11-12,17,25,28,33H,6-10,13H2,1-5H3,(H,27,32)
InChIKeyRRGGULINEZPGMA-UHFFFAOYSA-N
XLogP2.90
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?
The IUPAC name of 4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide (CID 137484843) is 4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide.
What is the SMILES notation for 4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?
The canonical SMILES for 4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide is CCN(c1c(C)c(C(=O)NCC2=C(C)C=C(C)NC2O)cc2c1c(F)nn2C)C1CCOCC1.
What is the InChIKey of 4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?
The InChIKey is RRGGULINEZPGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O3/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/h11-12,17,25,28,33H,6-10,13H2,1-5H3,(H,27,32).
What are the key properties of 4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide?
4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(oxan-4-yl)amino]-3-fluoro-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide is sourced from PubChem (CID 137484843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).