N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide

C22H27F3N8O2 — CID 138597059

IUPACN-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide
SMILESCC(C)c1c(-c2cnn(CC(=O)NCCN(CC(F)(F)F)C3CC3)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C22H27F3N8O2/c1-14(2)18-19(29-21(30-20(18)35)32-7-5-26-13-32)15-9-28-33(10-15)11-17(34)27-6-8-31(16-3-4-16)12-22(23,24)25/h5,7,9-10,13-14,16H,3-4,6,8,11-12H2,1-2H3,(H,27,34)(H,29,30,35)
InChIKeyYDNIQRZYOMCLQH-UHFFFAOYSA-N
MW492.51 g/mol
LogP2.09
Rot. Bonds10

About N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide

N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide (PubChem CID 138597059) has the molecular formula C22H27F3N8O2 and a molecular weight of 492.51 g/mol. Its IUPAC name is N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide
PubChem CID138597059
Molecular FormulaC22H27F3N8O2
Molecular Weight492.51 g/mol
Exact Mass492.22
IUPAC NameN-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide
SMILESCC(C)c1c(-c2cnn(CC(=O)NCCN(CC(F)(F)F)C3CC3)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C22H27F3N8O2/c1-14(2)18-19(29-21(30-20(18)35)32-7-5-26-13-32)15-9-28-33(10-15)11-17(34)27-6-8-31(16-3-4-16)12-22(23,24)25/h5,7,9-10,13-14,16H,3-4,6,8,11-12H2,1-2H3,(H,27,34)(H,29,30,35)
InChIKeyYDNIQRZYOMCLQH-UHFFFAOYSA-N
XLogP2.09
TPSA113.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide (CID 138597059) is N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide is CC(C)c1c(-c2cnn(CC(=O)NCCN(CC(F)(F)F)C3CC3)c2)nc(-n2ccnc2)[nH]c1=O.
What is the InChIKey of N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide?
The InChIKey is YDNIQRZYOMCLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N8O2/c1-14(2)18-19(29-21(30-20(18)35)32-7-5-26-13-32)15-9-28-33(10-15)11-17(34)27-6-8-31(16-3-4-16)12-22(23,24)25/h5,7,9-10,13-14,16H,3-4,6,8,11-12H2,1-2H3,(H,27,34)(H,29,30,35).
What are the key properties of N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide?
N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide has a molecular weight of 492.51 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethyl]-2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 138597059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).