N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C19H25N5O2S — CID 166620617

IUPACN-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)c2n[nH]c3c2CCN(C(=O)Cc2ccsc2)C3)C1
InChIInChI=1S/C19H25N5O2S/c1-22-6-3-14(10-22)23(2)19(26)18-15-4-7-24(11-16(15)20-21-18)17(25)9-13-5-8-27-12-13/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3,(H,20,21)
InChIKeySODKDHQAYLVEEO-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.37
Rot. Bonds4

About N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166620617) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166620617
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC NameN-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)c2n[nH]c3c2CCN(C(=O)Cc2ccsc2)C3)C1
InChIInChI=1S/C19H25N5O2S/c1-22-6-3-14(10-22)23(2)19(26)18-15-4-7-24(11-16(15)20-21-18)17(25)9-13-5-8-27-12-13/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3,(H,20,21)
InChIKeySODKDHQAYLVEEO-UHFFFAOYSA-N
XLogP1.37
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461962
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(2-pyridin-4-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166614160
1-[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 171697264
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 91797603
tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate
CID 71647148
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97408296
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853
N-methyl-N-(1-propylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride
CID 167923252
10-(cyclopropylmethyl)-13-methyl-5-(2-thiophen-3-ylacetyl)-8-thia-5,10,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-11,14-dione
CID 176507010
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45245401

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166620617) is N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is CN1CCC(N(C)C(=O)c2n[nH]c3c2CCN(C(=O)Cc2ccsc2)C3)C1.
What is the InChIKey of N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is SODKDHQAYLVEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-22-6-3-14(10-22)23(2)19(26)18-15-4-7-24(11-16(15)20-21-18)17(25)9-13-5-8-27-12-13/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3,(H,20,21).
What are the key properties of N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpyrrolidin-3-yl)-6-(2-thiophen-3-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166620617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).