2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide

C24H23FN6O3 — CID 166129006

IUPAC2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(C2CC2c2cc3[nH]nc(Nc4nc(C)ncc4OC)c3cc2F)c1
InChIInChI=1S/C24H23FN6O3/c1-11-27-10-21(34-3)24(28-11)29-23-18-8-19(25)17(9-20(18)30-31-23)16-7-15(16)14-6-12(33-2)4-5-13(14)22(26)32/h4-6,8-10,15-16H,7H2,1-3H3,(H2,26,32)(H2,27,28,29,30,31)
InChIKeyBJVQFBMTQYEOHA-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.93
Rot. Bonds7

About 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide

2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide (PubChem CID 166129006) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide
PubChem CID166129006
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC Name2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(C2CC2c2cc3[nH]nc(Nc4nc(C)ncc4OC)c3cc2F)c1
InChIInChI=1S/C24H23FN6O3/c1-11-27-10-21(34-3)24(28-11)29-23-18-8-19(25)17(9-20(18)30-31-23)16-7-15(16)14-6-12(33-2)4-5-13(14)22(26)32/h4-6,8-10,15-16H,7H2,1-3H3,(H2,26,32)(H2,27,28,29,30,31)
InChIKeyBJVQFBMTQYEOHA-UHFFFAOYSA-N
XLogP3.93
TPSA128.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide 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 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide?
The IUPAC name of 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide (CID 166129006) is 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide.
What is the SMILES notation for 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide?
The canonical SMILES for 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide is COc1ccc(C(N)=O)c(C2CC2c2cc3[nH]nc(Nc4nc(C)ncc4OC)c3cc2F)c1.
What is the InChIKey of 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide?
The InChIKey is BJVQFBMTQYEOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-11-27-10-21(34-3)24(28-11)29-23-18-8-19(25)17(9-20(18)30-31-23)16-7-15(16)14-6-12(33-2)4-5-13(14)22(26)32/h4-6,8-10,15-16H,7H2,1-3H3,(H2,26,32)(H2,27,28,29,30,31).
What are the key properties of 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide?
2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide has a molecular weight of 462.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-fluoro-3-[(5-methoxy-2-methylpyrimidin-4-yl)amino]-1H-indazol-6-yl]cyclopropyl]-4-methoxybenzamide is sourced from PubChem (CID 166129006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).