N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine

C13H19N5S — CID 97404984

IUPACN,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine
SMILESCN(C)Cc1nn(C)c2c1CCN(c1nccs1)C2
InChIInChI=1S/C13H19N5S/c1-16(2)8-11-10-4-6-18(13-14-5-7-19-13)9-12(10)17(3)15-11/h5,7H,4,6,8-9H2,1-3H3
InChIKeyKTUKOSUUSPLIEH-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.50
Rot. Bonds3

About N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine

N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine (PubChem CID 97404984) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine
PubChem CID97404984
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine
SMILESCN(C)Cc1nn(C)c2c1CCN(c1nccs1)C2
InChIInChI=1S/C13H19N5S/c1-16(2)8-11-10-4-6-18(13-14-5-7-19-13)9-12(10)17(3)15-11/h5,7H,4,6,8-9H2,1-3H3
InChIKeyKTUKOSUUSPLIEH-UHFFFAOYSA-N
XLogP1.50
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53581656
2-{[4-(1,3-Thiazol-2-yl)-1-piperazinyl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56917819
2-[4-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 75369886
N-[[6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methyl]-1,3-thiazol-2-amine
CID 97404956
N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide
CID 97516823
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 75505608
3-Methyl-2-thiazol-2-yl-4,5,6,7-tetrahydro-2h-indazole
CID 129827968
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82587066
N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 112381949
N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 112381950
N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 132324099
5-(Trifluoromethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 133508750

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine (CID 97404984) is N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine is CN(C)Cc1nn(C)c2c1CCN(c1nccs1)C2.
What is the InChIKey of N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine?
The InChIKey is KTUKOSUUSPLIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-16(2)8-11-10-4-6-18(13-14-5-7-19-13)9-12(10)17(3)15-11/h5,7H,4,6,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine?
N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine has a molecular weight of 277.40 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine is sourced from PubChem (CID 97404984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).