N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

C21H21F3N4O — CID 165403218

IUPACN-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2(C(F)(F)F)CC2)cc1)c1cc2cnn(C)c2cn1
InChIInChI=1S/C21H21F3N4O/c1-13(17-10-15-11-26-28(2)18(15)12-25-17)27-19(29)9-14-3-5-16(6-4-14)20(7-8-20)21(22,23)24/h3-6,10-13H,7-9H2,1-2H3,(H,27,29)/t13-/m1/s1
InChIKeyDSSYMCMYLGOSJA-CYBMUJFWSA-N
MW402.42 g/mol
LogP3.98
Rot. Bonds5

About N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (PubChem CID 165403218) has the molecular formula C21H21F3N4O and a molecular weight of 402.42 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
PubChem CID165403218
Molecular FormulaC21H21F3N4O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC NameN-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C2(C(F)(F)F)CC2)cc1)c1cc2cnn(C)c2cn1
InChIInChI=1S/C21H21F3N4O/c1-13(17-10-15-11-26-28(2)18(15)12-25-17)27-19(29)9-14-3-5-16(6-4-14)20(7-8-20)21(22,23)24/h3-6,10-13H,7-9H2,1-2H3,(H,27,29)/t13-/m1/s1
InChIKeyDSSYMCMYLGOSJA-CYBMUJFWSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide 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 N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The IUPAC name of N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (CID 165403218) is N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The canonical SMILES for N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is C[C@@H](NC(=O)Cc1ccc(C2(C(F)(F)F)CC2)cc1)c1cc2cnn(C)c2cn1.
What is the InChIKey of N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The InChIKey is DSSYMCMYLGOSJA-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21F3N4O/c1-13(17-10-15-11-26-28(2)18(15)12-25-17)27-19(29)9-14-3-5-16(6-4-14)20(7-8-20)21(22,23)24/h3-6,10-13H,7-9H2,1-2H3,(H,27,29)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide has a molecular weight of 402.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylpyrazolo[3,4-c]pyridin-5-yl)ethyl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 165403218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).