[3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate

C21H19ClF3N7O5 — CID 129098093

IUPAC[3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OCC(O)COC(=O)C(F)(F)F
InChIInChI=1S/C21H19ClF3N7O5/c1-9(29-19(34)14-17(26)31-32-4-2-3-27-18(14)32)11-5-13(22)12-6-28-30-15(12)16(11)36-7-10(33)8-37-20(35)21(23,24)25/h2-6,9-10,33H,7-8H2,1H3,(H2,26,31)(H,28,30)(H,29,34)
InChIKeySKTARYURMQSZHR-UHFFFAOYSA-N
MW541.87 g/mol
LogP2.18
Rot. Bonds8

About [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate

[3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate (PubChem CID 129098093) has the molecular formula C21H19ClF3N7O5 and a molecular weight of 541.87 g/mol. Its IUPAC name is [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate
PubChem CID129098093
Molecular FormulaC21H19ClF3N7O5
Molecular Weight541.87 g/mol
Exact Mass541.11
IUPAC Name[3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OCC(O)COC(=O)C(F)(F)F
InChIInChI=1S/C21H19ClF3N7O5/c1-9(29-19(34)14-17(26)31-32-4-2-3-27-18(14)32)11-5-13(22)12-6-28-30-15(12)16(11)36-7-10(33)8-37-20(35)21(23,24)25/h2-6,9-10,33H,7-8H2,1H3,(H2,26,31)(H,28,30)(H,29,34)
InChIKeySKTARYURMQSZHR-UHFFFAOYSA-N
XLogP2.18
TPSA169.75 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.87
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate 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

2-amino-N-[1-(4-chloro-7-methoxy-1H-indazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097778
2-amino-N-[1-[7-(3-aminopropoxy)-4-chloro-1H-indazol-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097666
tert-butyl 5-[[4-chloro-6-[1-[[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]ethyl]-1H-indazol-7-yl]oxy]pentanoate
CID 153053645
2-amino-N-[1-[8-chloro-5-(4-fluoropiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 129097891
[(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate
CID 129097693
2-amino-N-[1-[3,4-dichloro-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 129097764
2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 129097986
2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 129097454
2-amino-N-[1-[3,4-dichloro-7-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)pyrazolo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097765
2-amino-N-[1-[8-chloro-5-[(3S)-3-hydroxypiperidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146232796
2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097895
2-amino-N-[1-[8-chloro-2-(2,3-dihydroxypropyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123631656

Frequently Asked Questions

What is the IUPAC name of [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate (CID 129098093) is [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cn[nH]c2c1OCC(O)COC(=O)C(F)(F)F.
What is the InChIKey of [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate?
The InChIKey is SKTARYURMQSZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N7O5/c1-9(29-19(34)14-17(26)31-32-4-2-3-27-18(14)32)11-5-13(22)12-6-28-30-15(12)16(11)36-7-10(33)8-37-20(35)21(23,24)25/h2-6,9-10,33H,7-8H2,1H3,(H2,26,31)(H,28,30)(H,29,34).
What are the key properties of [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate?
[3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate has a molecular weight of 541.87 g/mol, XLogP of 2.18, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-4-chloro-1H-indazol-7-yl]oxy]-2-hydroxypropyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 129098093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).