N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C21H27F3N8O2 — CID 146194380

IUPACN-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1nc(NC2CC(NC(=O)Cn3ccc(C(F)(F)F)n3)C2)nc2c1NC(=O)C(C(C)C)N2C
InChIInChI=1S/C21H27F3N8O2/c1-10(2)17-19(34)28-16-11(3)25-20(29-18(16)31(17)4)27-13-7-12(8-13)26-15(33)9-32-6-5-14(30-32)21(22,23)24/h5-6,10,12-13,17H,7-9H2,1-4H3,(H,26,33)(H,28,34)(H,25,27,29)
InChIKeyUBVYJAFPSMNQPD-UHFFFAOYSA-N
MW480.50 g/mol
LogP2.17
Rot. Bonds6

About N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 146194380) has the molecular formula C21H27F3N8O2 and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID146194380
Molecular FormulaC21H27F3N8O2
Molecular Weight480.50 g/mol
Exact Mass480.22
IUPAC NameN-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1nc(NC2CC(NC(=O)Cn3ccc(C(F)(F)F)n3)C2)nc2c1NC(=O)C(C(C)C)N2C
InChIInChI=1S/C21H27F3N8O2/c1-10(2)17-19(34)28-16-11(3)25-20(29-18(16)31(17)4)27-13-7-12(8-13)26-15(33)9-32-6-5-14(30-32)21(22,23)24/h5-6,10,12-13,17H,7-9H2,1-4H3,(H,26,33)(H,28,34)(H,25,27,29)
InChIKeyUBVYJAFPSMNQPD-UHFFFAOYSA-N
XLogP2.17
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[5-bromo-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 145900914
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 69081779
N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 69083959
N,2-dimethyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 69093445
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 76336221
US9932325, Example 22
CID 132244615
US9932325, Example 25
CID 132244616
N-[3-[[2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 145900909
1-[3-[4-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]cyclobutyl]pyrrolidin-2-one
CID 140943429
US11214565, Example D-100
CID 140943459
US11214565, Example D-140
CID 140943484
US11214565, Example D-76
CID 140943518

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 146194380) is N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1nc(NC2CC(NC(=O)Cn3ccc(C(F)(F)F)n3)C2)nc2c1NC(=O)C(C(C)C)N2C.
What is the InChIKey of N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is UBVYJAFPSMNQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N8O2/c1-10(2)17-19(34)28-16-11(3)25-20(29-18(16)31(17)4)27-13-7-12(8-13)26-15(33)9-32-6-5-14(30-32)21(22,23)24/h5-6,10,12-13,17H,7-9H2,1-4H3,(H,26,33)(H,28,34)(H,25,27,29).
What are the key properties of N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 480.50 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]amino]cyclobutyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 146194380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).