N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid

C15H19F3N6O3S — CID 118743822

IUPACN-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)CN1CCc2c(CNc3nccs3)n[nH]c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N6OS.C2HF3O2/c1-14-12(20)8-19-4-2-9-10(17-18-11(9)7-19)6-16-13-15-3-5-21-13;3-2(4,5)1(6)7/h3,5H,2,4,6-8H2,1H3,(H,14,20)(H,15,16)(H,17,18);(H,6,7)
InChIKeyUBOLMYQIRMIRBH-UHFFFAOYSA-N
MW420.42 g/mol
LogP1.22
Rot. Bonds5

About N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid

N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118743822) has the molecular formula C15H19F3N6O3S and a molecular weight of 420.42 g/mol. Its IUPAC name is N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118743822
Molecular FormulaC15H19F3N6O3S
Molecular Weight420.42 g/mol
Exact Mass420.12
IUPAC NameN-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)CN1CCc2c(CNc3nccs3)n[nH]c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N6OS.C2HF3O2/c1-14-12(20)8-19-4-2-9-10(17-18-11(9)7-19)6-16-13-15-3-5-21-13;3-2(4,5)1(6)7/h3,5H,2,4,6-8H2,1H3,(H,14,20)(H,15,16)(H,17,18);(H,6,7)
InChIKeyUBOLMYQIRMIRBH-UHFFFAOYSA-N
XLogP1.22
TPSA123.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid (CID 118743822) is N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid is CNC(=O)CN1CCc2c(CNc3nccs3)n[nH]c2C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is UBOLMYQIRMIRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS.C2HF3O2/c1-14-12(20)8-19-4-2-9-10(17-18-11(9)7-19)6-16-13-15-3-5-21-13;3-2(4,5)1(6)7/h3,5H,2,4,6-8H2,1H3,(H,14,20)(H,15,16)(H,17,18);(H,6,7).
What are the key properties of N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid?
N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 420.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).