N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide

C17H21N7O3 — CID 70752743

IUPACN-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)c2nnc3n2CCCC3)C[C@H]1O)c1cnccn1
InChIInChI=1S/C17H21N7O3/c25-13-10-23(17(27)15-22-21-14-3-1-2-7-24(14)15)8-4-11(13)20-16(26)12-9-18-5-6-19-12/h5-6,9,11,13,25H,1-4,7-8,10H2,(H,20,26)/t11-,13-/m1/s1
InChIKeyFGIMYPIKTWREJF-DGCLKSJQSA-N
MW371.40 g/mol
LogP-0.59
Rot. Bonds3

About N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide

N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 70752743) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID70752743
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)c2nnc3n2CCCC3)C[C@H]1O)c1cnccn1
InChIInChI=1S/C17H21N7O3/c25-13-10-23(17(27)15-22-21-14-3-1-2-7-24(14)15)8-4-11(13)20-16(26)12-9-18-5-6-19-12/h5-6,9,11,13,25H,1-4,7-8,10H2,(H,20,26)/t11-,13-/m1/s1
InChIKeyFGIMYPIKTWREJF-DGCLKSJQSA-N
XLogP-0.59
TPSA126.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 70752743) is N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CCN(C(=O)c2nnc3n2CCCC3)C[C@H]1O)c1cnccn1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is FGIMYPIKTWREJF-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H21N7O3/c25-13-10-23(17(27)15-22-21-14-3-1-2-7-24(14)15)8-4-11(13)20-16(26)12-9-18-5-6-19-12/h5-6,9,11,13,25H,1-4,7-8,10H2,(H,20,26)/t11-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 70752743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).