N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)

C18H22F6N4O4S — CID 118745845

IUPACN,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)Cc1n[nH]c2c1CCN(Cc1cccs1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4S.2C2HF3O2/c1-17(2)9-13-12-5-6-18(10-14(12)16-15-13)8-11-4-3-7-19-11;2*3-2(4,5)1(6)7/h3-4,7H,5-6,8-10H2,1-2H3,(H,15,16);2*(H,6,7)
InChIKeyCNVILWKMNMUZJX-UHFFFAOYSA-N
MW504.45 g/mol
LogP3.36
Rot. Bonds4

About N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745845) has the molecular formula C18H22F6N4O4S and a molecular weight of 504.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745845
Molecular FormulaC18H22F6N4O4S
Molecular Weight504.45 g/mol
Exact Mass504.13
IUPAC NameN,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)Cc1n[nH]c2c1CCN(Cc1cccs1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4S.2C2HF3O2/c1-17(2)9-13-12-5-6-18(10-14(12)16-15-13)8-11-4-3-7-19-11;2*3-2(4,5)1(6)7/h3-4,7H,5-6,8-10H2,1-2H3,(H,15,16);2*(H,6,7)
InChIKeyCNVILWKMNMUZJX-UHFFFAOYSA-N
XLogP3.36
TPSA109.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.45
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid) (CID 118745845) is N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid) is CN(C)Cc1n[nH]c2c1CCN(Cc1cccs1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is CNVILWKMNMUZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S.2C2HF3O2/c1-17(2)9-13-12-5-6-18(10-14(12)16-15-13)8-11-4-3-7-19-11;2*3-2(4,5)1(6)7/h3-4,7H,5-6,8-10H2,1-2H3,(H,15,16);2*(H,6,7).
What are the key properties of N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 504.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-(thiophen-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).