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

C14H18N6O2S — CID 110458839

IUPAC1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nnc(C3CCCO3)s2)c2c1CCNC2
InChIInChI=1S/C14H18N6O2S/c1-20-9-4-5-15-7-8(9)11(19-20)12(21)16-14-18-17-13(23-14)10-3-2-6-22-10/h10,15H,2-7H2,1H3,(H,16,18,21)
InChIKeyQGJVIKQXXVGCEN-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.02
Rot. Bonds3

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

1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 110458839) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID110458839
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nnc(C3CCCO3)s2)c2c1CCNC2
InChIInChI=1S/C14H18N6O2S/c1-20-9-4-5-15-7-8(9)11(19-20)12(21)16-14-18-17-13(23-14)10-3-2-6-22-10/h10,15H,2-7H2,1H3,(H,16,18,21)
InChIKeyQGJVIKQXXVGCEN-UHFFFAOYSA-N
XLogP1.02
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 110458839) is 1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)Nc2nnc(C3CCCO3)s2)c2c1CCNC2.
What is the InChIKey of 1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is QGJVIKQXXVGCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-20-9-4-5-15-7-8(9)11(19-20)12(21)16-14-18-17-13(23-14)10-3-2-6-22-10/h10,15H,2-7H2,1H3,(H,16,18,21).
What are the key properties of 1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 110458839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).