5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid

C25H23N9O3 — CID 67128133

IUPAC5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C25H23N9O3/c35-24(17-1-2-19(25(36)37)30-14-17)31-18-12-20(32-21(13-18)33-22-15-27-5-6-28-22)16-3-4-29-23(11-16)34-9-7-26-8-10-34/h1-6,11-15,26H,7-10H2,(H,36,37)(H2,28,31,32,33,35)
InChIKeyHLTQMVAHJARAFR-UHFFFAOYSA-N
MW497.52 g/mol
LogP2.43
Rot. Bonds7

About 5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid

5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 67128133) has the molecular formula C25H23N9O3 and a molecular weight of 497.52 g/mol. Its IUPAC name is 5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID67128133
Molecular FormulaC25H23N9O3
Molecular Weight497.52 g/mol
Exact Mass497.19
IUPAC Name5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C25H23N9O3/c35-24(17-1-2-19(25(36)37)30-14-17)31-18-12-20(32-21(13-18)33-22-15-27-5-6-28-22)16-3-4-29-23(11-16)34-9-7-26-8-10-34/h1-6,11-15,26H,7-10H2,(H,36,37)(H2,28,31,32,33,35)
InChIKeyHLTQMVAHJARAFR-UHFFFAOYSA-N
XLogP2.43
TPSA158.15 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid (CID 67128133) is 5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid is O=C(Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is HLTQMVAHJARAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N9O3/c35-24(17-1-2-19(25(36)37)30-14-17)31-18-12-20(32-21(13-18)33-22-15-27-5-6-28-22)16-3-4-29-23(11-16)34-9-7-26-8-10-34/h1-6,11-15,26H,7-10H2,(H,36,37)(H2,28,31,32,33,35).
What are the key properties of 5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 497.52 g/mol, XLogP of 2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 67128133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).