cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone

C24H27FN8O2 — CID 177156880

IUPACcyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone
SMILESCOc1nc(N[C@@]2(C)CCN(C(=O)C3CC3)CC2(C)F)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C24H27FN8O2/c1-23(25)14-32(20(34)15-4-5-15)10-7-24(23,2)29-21-28-19(35-3)18-17(6-9-33(18)30-21)16-12-27-22-26-8-11-31(22)13-16/h6,8-9,11-13,15H,4-5,7,10,14H2,1-3H3,(H,29,30)/t23?,24-/m0/s1
InChIKeyFIPYPOVXZWXJGA-CGAIIQECSA-N
MW478.53 g/mol
LogP2.99
Rot. Bonds5

About cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone

cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone (PubChem CID 177156880) has the molecular formula C24H27FN8O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone
PubChem CID177156880
Molecular FormulaC24H27FN8O2
Molecular Weight478.53 g/mol
Exact Mass478.22
IUPAC Namecyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone
SMILESCOc1nc(N[C@@]2(C)CCN(C(=O)C3CC3)CC2(C)F)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C24H27FN8O2/c1-23(25)14-32(20(34)15-4-5-15)10-7-24(23,2)29-21-28-19(35-3)18-17(6-9-33(18)30-21)16-12-27-22-26-8-11-31(22)13-16/h6,8-9,11-13,15H,4-5,7,10,14H2,1-3H3,(H,29,30)/t23?,24-/m0/s1
InChIKeyFIPYPOVXZWXJGA-CGAIIQECSA-N
XLogP2.99
TPSA101.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone 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 cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone (CID 177156880) is cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone is COc1nc(N[C@@]2(C)CCN(C(=O)C3CC3)CC2(C)F)nn2ccc(-c3cnc4nccn4c3)c12.
What is the InChIKey of cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone?
The InChIKey is FIPYPOVXZWXJGA-CGAIIQECSA-N. The full InChI is InChI=1S/C24H27FN8O2/c1-23(25)14-32(20(34)15-4-5-15)10-7-24(23,2)29-21-28-19(35-3)18-17(6-9-33(18)30-21)16-12-27-22-26-8-11-31(22)13-16/h6,8-9,11-13,15H,4-5,7,10,14H2,1-3H3,(H,29,30)/t23?,24-/m0/s1.
What are the key properties of cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone?
cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone has a molecular weight of 478.53 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4S)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-3,4-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 177156880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).