N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide

C22H24F3N7O3 — CID 169111567

IUPACN-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide
SMILESC[C@@H](c1ccc(C(F)(F)F)cn1)N(C)C(=O)C(=O)Nc1cnc(N)c2cnn(C3CCCCO3)c12
InChIInChI=1S/C22H24F3N7O3/c1-12(15-7-6-13(9-27-15)22(23,24)25)31(2)21(34)20(33)30-16-11-28-19(26)14-10-29-32(18(14)16)17-5-3-4-8-35-17/h6-7,9-12,17H,3-5,8H2,1-2H3,(H2,26,28)(H,30,33)/t12-,17?/m0/s1
InChIKeyRGXXDYDDUFRUFY-WHUIICBVSA-N
MW491.47 g/mol
LogP3.28
Rot. Bonds4

About N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide

N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide (PubChem CID 169111567) has the molecular formula C22H24F3N7O3 and a molecular weight of 491.47 g/mol. Its IUPAC name is N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide.

Molecular Properties

Compound NameN-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide
PubChem CID169111567
Molecular FormulaC22H24F3N7O3
Molecular Weight491.47 g/mol
Exact Mass491.19
IUPAC NameN-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide
SMILESC[C@@H](c1ccc(C(F)(F)F)cn1)N(C)C(=O)C(=O)Nc1cnc(N)c2cnn(C3CCCCO3)c12
InChIInChI=1S/C22H24F3N7O3/c1-12(15-7-6-13(9-27-15)22(23,24)25)31(2)21(34)20(33)30-16-11-28-19(26)14-10-29-32(18(14)16)17-5-3-4-8-35-17/h6-7,9-12,17H,3-5,8H2,1-2H3,(H2,26,28)(H,30,33)/t12-,17?/m0/s1
InChIKeyRGXXDYDDUFRUFY-WHUIICBVSA-N
XLogP3.28
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide 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-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-[(2-chlorophenyl)methyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 169111123
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-methyl-N'-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide;hydrochloride
CID 174057204
N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-(cyclopropylmethyl)-N'-[(2-methylphenyl)methyl]oxamide
CID 169110949
N-(4-amino-1-iodophosphanylpyrazolo[4,5-c]pyridin-7-yl)-N'-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N'-methyloxamide
CID 169111778
N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-ethyl-N'-(2-methylpropyl)oxamide;(4E)-5-methylidene-4-prop-2-enylidene-1,3-thiazole
CID 169114251
N-(4-amino-1,3-dihydrofuro[3,4-c]pyridin-7-yl)-N'-[(1R)-1-pyrimidin-2-ylethyl]-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 171619261
4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 174220847
N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 47981886
N-(4,6-diamino-5-methanimidoyl-3-pyridinyl)-N'-methyl-N'-[(1S)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111836
acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide
CID 169111965
[4-amino-7-[[2-[ethyl(2-methylpropyl)amino]-2-oxoacetyl]amino]pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite
CID 169114519
4-bromo-7-fluoro-6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazole
CID 172594891

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide?
The IUPAC name of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide (CID 169111567) is N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide.
What is the SMILES notation for N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide?
The canonical SMILES for N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide is C[C@@H](c1ccc(C(F)(F)F)cn1)N(C)C(=O)C(=O)Nc1cnc(N)c2cnn(C3CCCCO3)c12.
What is the InChIKey of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide?
The InChIKey is RGXXDYDDUFRUFY-WHUIICBVSA-N. The full InChI is InChI=1S/C22H24F3N7O3/c1-12(15-7-6-13(9-27-15)22(23,24)25)31(2)21(34)20(33)30-16-11-28-19(26)14-10-29-32(18(14)16)17-5-3-4-8-35-17/h6-7,9-12,17H,3-5,8H2,1-2H3,(H2,26,28)(H,30,33)/t12-,17?/m0/s1.
What are the key properties of N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide?
N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide has a molecular weight of 491.47 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(oxan-2-yl)pyrazolo[4,5-c]pyridin-7-yl]-N'-methyl-N'-[(1S)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]oxamide is sourced from PubChem (CID 169111567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).