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

C19H21F6N5O5 — CID 171694648

IUPACN,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCc2[nH]nc(C(=O)N(C)Cc3ccccn3)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N5O.2C2HF3O2/c1-19-8-6-13-12(10-19)14(18-17-13)15(21)20(2)9-11-5-3-4-7-16-11;2*3-2(4,5)1(6)7/h3-5,7H,6,8-10H2,1-2H3,(H,17,18);2*(H,6,7)
InChIKeyVKSMZYFSGORPSI-UHFFFAOYSA-N
MW513.40 g/mol
LogP2.33
Rot. Bonds3

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

N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171694648) has the molecular formula C19H21F6N5O5 and a molecular weight of 513.40 g/mol. Its IUPAC name is N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID171694648
Molecular FormulaC19H21F6N5O5
Molecular Weight513.40 g/mol
Exact Mass513.14
IUPAC NameN,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CCc2[nH]nc(C(=O)N(C)Cc3ccccn3)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N5O.2C2HF3O2/c1-19-8-6-13-12(10-19)14(18-17-13)15(21)20(2)9-11-5-3-4-7-16-11;2*3-2(4,5)1(6)7/h3-5,7H,6,8-10H2,1-2H3,(H,17,18);2*(H,6,7)
InChIKeyVKSMZYFSGORPSI-UHFFFAOYSA-N
XLogP2.33
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.40
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461886
N-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 121229497
5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97389053
5-(furan-2-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97408304
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56875753
N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid
CID 154914502
5-(2-methoxyacetyl)-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42876698
3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155855355
4-amino-N-methyl-5-propyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62076095
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74244490
N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166615358
5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 110875657

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 171694648) is N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is CN1CCc2[nH]nc(C(=O)N(C)Cc3ccccn3)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is VKSMZYFSGORPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.2C2HF3O2/c1-19-8-6-13-12(10-19)14(18-17-13)15(21)20(2)9-11-5-3-4-7-16-11;2*3-2(4,5)1(6)7/h3-5,7H,6,8-10H2,1-2H3,(H,17,18);2*(H,6,7).
What are the key properties of N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 513.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171694648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).