[3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid

C16H20F3N5O3 — CID 155854787

IUPAC[3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1n[nH]c2c1CCN(C(=O)c1ccc[nH]1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N5O.C2HF3O2/c1-18(2)8-12-10-5-7-19(9-13(10)17-16-12)14(20)11-4-3-6-15-11;3-2(4,5)1(6)7/h3-4,6,15H,5,7-9H2,1-2H3,(H,16,17);(H,6,7)
InChIKeyCKVHPLNHZGNSPN-UHFFFAOYSA-N
MW387.36 g/mol
LogP1.63
Rot. Bonds3

About [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid

[3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155854787) has the molecular formula C16H20F3N5O3 and a molecular weight of 387.36 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155854787
Molecular FormulaC16H20F3N5O3
Molecular Weight387.36 g/mol
Exact Mass387.15
IUPAC Name[3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1n[nH]c2c1CCN(C(=O)c1ccc[nH]1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N5O.C2HF3O2/c1-18(2)8-12-10-5-7-19(9-13(10)17-16-12)14(20)11-4-3-6-15-11;3-2(4,5)1(6)7/h3-4,6,15H,5,7-9H2,1-2H3,(H,16,17);(H,6,7)
InChIKeyCKVHPLNHZGNSPN-UHFFFAOYSA-N
XLogP1.63
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid 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 [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155854787) is [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid is CN(C)Cc1n[nH]c2c1CCN(C(=O)c1ccc[nH]1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is CKVHPLNHZGNSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.C2HF3O2/c1-18(2)8-12-10-5-7-19(9-13(10)17-16-12)14(20)11-4-3-6-15-11;3-2(4,5)1(6)7/h3-4,6,15H,5,7-9H2,1-2H3,(H,16,17);(H,6,7).
What are the key properties of [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid?
[3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 387.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(1H-pyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155854787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).