3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

C17H25N7O3 — CID 125441289

IUPAC3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(C(=O)N[C@H](C)c1nc(CC(C)C)no1)CC2
InChIInChI=1S/C17H25N7O3/c1-9(2)7-13-20-16(27-23-13)10(3)19-17(26)24-6-5-12-11(8-24)14(22-21-12)15(25)18-4/h9-10H,5-8H2,1-4H3,(H,18,25)(H,19,26)(H,21,22)/t10-/m1/s1
InChIKeyKPDKFPFQRIUPLN-SNVBAGLBSA-N
MW375.43 g/mol
LogP1.18
Rot. Bonds5

About 3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide

3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (PubChem CID 125441289) has the molecular formula C17H25N7O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
PubChem CID125441289
Molecular FormulaC17H25N7O3
Molecular Weight375.43 g/mol
Exact Mass375.20
IUPAC Name3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(C(=O)N[C@H](C)c1nc(CC(C)C)no1)CC2
InChIInChI=1S/C17H25N7O3/c1-9(2)7-13-20-16(27-23-13)10(3)19-17(26)24-6-5-12-11(8-24)14(22-21-12)15(25)18-4/h9-10H,5-8H2,1-4H3,(H,18,25)(H,19,26)(H,21,22)/t10-/m1/s1
InChIKeyKPDKFPFQRIUPLN-SNVBAGLBSA-N
XLogP1.18
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide (CID 125441289) is 3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is CNC(=O)c1n[nH]c2c1CN(C(=O)N[C@H](C)c1nc(CC(C)C)no1)CC2.
What is the InChIKey of 3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
The InChIKey is KPDKFPFQRIUPLN-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H25N7O3/c1-9(2)7-13-20-16(27-23-13)10(3)19-17(26)24-6-5-12-11(8-24)14(22-21-12)15(25)18-4/h9-10H,5-8H2,1-4H3,(H,18,25)(H,19,26)(H,21,22)/t10-/m1/s1.
What are the key properties of 3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide?
3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 125441289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).